#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1par s LYS 2 N 0.00 4.33 0.00 2.12 -0.14 -1.26 -3.65 119.74 121.14 1par s LYS 2 Ca 0.00 0.82 0.00 0.00 -1.36 0.00 0.00 55.97 55.43 1par s LYS 2 Cb 0.00 -3.30 0.00 0.00 -1.68 0.00 0.00 37.83 32.85 1par s LYS 2 CO 0.00 0.48 0.00 0.41 -0.76 0.00 0.00 175.35 175.48 1par n GLY 3 N 2.09 2.92 0.17 -3.33 0.00 -1.26 -4.90 105.19 100.88 1par n GLY 3 Ca -0.07 0.00 -0.04 0.00 0.00 0.00 0.00 46.02 45.90 1par n GLY 3 CO 0.00 0.00 0.00 -0.13 0.00 0.00 0.00 173.32 173.19 1par n MET 4 N -2.00 -0.18 -0.29 1.61 0.00 -1.24 -1.00 117.12 114.03 1par n MET 4 Ca 0.00 0.69 0.15 0.00 0.00 0.00 0.00 57.70 58.54 1par n MET 4 Cb 0.00 -1.01 0.30 0.00 0.00 0.00 0.00 33.22 32.51 1par n MET 4 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 175.97 174.84 1par n SER 5 N -4.25 -0.02 -1.91 6.12 3.41 -1.26 0.27 113.62 115.98 1par n SER 5 Ca 0.01 1.43 -0.01 0.00 -0.26 0.00 0.00 58.87 60.04 1par n SER 5 Cb 0.10 -0.56 0.33 0.00 -0.26 0.00 0.00 64.21 63.82 1par n SER 5 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 1par n LYS 6 N -5.16 4.01 -2.60 4.33 5.02 -0.17 -4.96 118.16 118.62 1par n LYS 6 Ca 0.22 -2.94 -0.25 0.00 -2.02 0.00 0.00 58.31 53.32 1par n LYS 6 Cb 0.74 -2.20 0.02 0.00 -0.02 0.00 0.00 35.03 33.57 1par n LYS 6 CO 0.00 0.00 0.00 -1.64 -0.52 0.00 0.00 177.40 175.24 1par s MET 7 N -2.79 3.00 0.23 1.97 -1.94 0.14 -5.02 119.30 114.90 1par s MET 7 Ca 0.52 -0.15 -0.30 0.00 -1.71 0.00 0.00 55.69 54.05 1par s MET 7 Cb 0.41 -2.37 -0.09 0.00 2.01 0.00 0.00 34.83 34.78 1par s MET 7 CO 0.14 -0.53 1.37 -2.14 -0.01 0.00 0.00 175.02 173.84 1par s PRO 8 N -4.83 4.34 0.59 2.03 0.02 -1.26 -5.00 135.00 130.89 1par s PRO 8 Ca 0.52 2.17 0.03 0.00 0.02 0.00 0.00 61.00 63.74 1par s PRO 8 Cb -0.10 -3.15 0.07 0.00 0.02 0.00 0.00 34.50 31.34 1par s PRO 8 CO 0.43 -0.32 0.82 -0.65 -0.33 0.00 0.00 177.00 176.95 1par s GLN 9 N -0.33 2.25 -0.29 5.54 -0.21 -1.26 -5.13 119.66 120.23 1par s GLN 9 Ca 0.57 -1.15 -0.20 0.00 0.02 0.00 0.00 55.36 54.60 1par s GLN 9 Cb -0.39 -2.51 0.15 0.00 1.00 0.00 0.00 33.01 31.26 1par s GLN 9 CO 0.41 -0.92 1.08 0.12 -2.12 0.00 0.00 175.29 173.86 1par s PHE 10 N -2.81 -0.43 -0.28 0.91 2.19 -1.26 -5.15 117.98 111.16 1par s PHE 10 Ca 0.61 0.94 -0.04 0.00 0.33 0.00 0.00 56.93 58.77 1par s PHE 10 Cb -0.08 0.34 0.02 0.00 -1.31 0.00 0.00 43.02 42.00 1par s PHE 10 CO 0.40 -0.21 0.02 -0.80 1.83 0.00 0.00 175.22 176.45 1par s ASN 11 N 0.74 4.78 0.13 6.13 -0.87 -1.26 -5.07 114.94 119.52 1par s ASN 11 Ca -0.02 -0.81 -0.31 0.00 -1.57 0.00 0.00 52.86 50.15 1par s ASN 11 Cb -0.04 -1.78 -0.07 0.00 -0.02 0.00 0.00 41.25 39.33 1par s ASN 11 CO -0.11 -0.17 1.28 -0.76 -2.57 0.00 0.00 177.10 174.76 1par s LEU 12 N 1.41 4.39 -0.39 0.60 1.02 -1.26 -5.00 118.68 119.46 1par s LEU 12 Ca 0.01 2.22 -0.01 0.00 0.02 0.00 0.00 54.13 56.37 1par s LEU 12 Cb -0.17 -3.59 0.10 0.00 0.02 0.00 0.00 46.19 42.55 1par s LEU 12 CO -0.01 -0.52 0.16 -0.13 0.02 0.00 0.00 176.35 175.87 1par s ARG 13 N 0.61 1.91 0.26 1.70 0.52 -1.26 -5.09 118.95 117.60 1par s ARG 13 Ca 0.59 -1.80 0.04 0.00 -0.52 0.00 0.00 55.73 54.04 1par s ARG 13 Cb -0.34 -3.48 -0.06 0.00 0.52 0.00 0.00 34.95 31.60 1par s ARG 13 CO 0.33 -1.02 -0.01 -1.58 0.02 0.00 0.00 175.30 173.04 1par s TRP 14 N 1.09 1.74 0.39 -0.53 0.52 -1.26 -5.14 118.94 115.76 1par s TRP 14 Ca 0.08 -0.87 -0.25 0.00 0.02 0.00 0.00 56.10 55.09 1par s TRP 14 Cb -0.22 -1.03 -0.09 0.00 -1.15 0.00 0.00 33.47 30.99 1par s TRP 14 CO -0.05 0.06 1.08 -2.14 0.02 0.00 0.00 176.95 175.92 1par s PRO 15 N -3.83 4.19 0.09 4.98 0.01 -1.26 -4.88 135.00 134.30 1par s PRO 15 Ca 0.30 1.61 -0.33 0.00 0.01 0.00 0.00 61.00 62.59 1par s PRO 15 Cb 0.06 -2.64 -0.15 0.00 0.01 0.00 0.00 34.50 31.78 1par s PRO 15 CO 0.11 -0.14 1.52 0.00 0.01 0.00 0.00 177.00 178.49 1par h ARG 16 N 2.66 -0.77 -0.87 5.54 3.08 -2.00 -0.59 114.38 121.42 1par h ARG 16 Ca -0.48 0.05 0.11 0.00 0.07 0.00 0.00 59.98 59.73 1par h ARG 16 Cb 1.22 0.18 -0.13 0.00 0.08 0.00 0.00 29.97 31.32 1par h ARG 16 CO 0.63 -0.51 -0.41 0.39 -1.07 0.00 0.00 179.97 178.99 1par n GLU 17 N -5.30 -0.28 0.11 0.04 1.02 -1.26 0.19 120.64 115.15 1par n GLU 17 Ca -0.09 1.33 -0.15 0.00 -0.02 0.00 0.00 57.16 58.23 1par n GLU 17 Cb 0.41 -1.97 -0.08 0.00 -0.02 0.00 0.00 31.44 29.78 1par n GLU 17 CO 0.00 0.00 0.00 0.28 1.18 0.00 0.00 177.13 178.59 1par h VAL 18 N 0.00 0.11 -0.71 2.62 2.07 -1.91 0.27 116.25 118.70 1par h VAL 18 Ca 0.23 0.00 0.09 0.00 0.82 0.00 0.00 66.70 67.84 1par h VAL 18 Cb 0.45 0.11 -0.05 0.00 -1.52 0.00 0.00 31.29 30.29 1par h VAL 18 CO -0.85 0.00 0.47 0.25 0.02 0.00 0.00 177.57 177.46 1par h LEU 19 N -0.67 0.56 -0.14 2.57 5.85 0.18 -0.86 115.31 122.80 1par h LEU 19 Ca 0.02 0.01 -0.20 0.00 0.84 0.00 0.00 57.88 58.55 1par h LEU 19 Cb 0.70 -0.11 -0.03 0.00 0.37 0.00 0.00 40.66 41.60 1par h LEU 19 CO -0.26 0.34 -0.93 0.44 -0.34 0.00 0.00 178.44 177.69 1par h ASP 20 N 0.63 0.01 0.33 1.25 3.32 0.31 -2.84 116.42 119.42 1par h ASP 20 Ca 0.32 -0.01 0.00 0.00 0.02 0.00 0.00 57.03 57.37 1par h ASP 20 Cb 0.43 -0.00 -0.03 0.00 0.22 0.00 0.00 39.33 39.95 1par h ASP 20 CO -0.11 0.93 -0.37 0.25 -1.72 0.00 0.00 179.24 178.22 1par h LEU 21 N 0.00 -1.02 -0.64 1.55 6.46 0.88 -1.54 115.31 121.00 1par h LEU 21 Ca -0.01 0.09 0.11 0.00 -0.12 0.00 0.00 57.88 57.95 1par h LEU 21 Cb 1.65 0.35 -0.08 0.00 -0.73 0.00 0.00 40.66 41.85 1par h LEU 21 CO 0.12 -0.51 0.20 0.58 -0.62 0.00 0.00 178.44 178.22 1par h VAL 22 N -0.74 0.69 -0.63 1.05 2.07 -1.40 -0.88 116.25 116.42 1par h VAL 22 Ca -0.02 -0.12 0.06 0.00 0.82 0.00 0.00 66.70 67.44 1par h VAL 22 Cb 0.68 0.30 -0.06 0.00 -1.52 0.00 0.00 31.29 30.70 1par h VAL 22 CO -0.09 0.07 0.32 0.03 0.02 0.00 0.00 177.57 177.92 1par h ARG 23 N 0.36 0.58 0.77 1.57 3.08 -1.22 1.31 114.38 120.82 1par h ARG 23 Ca 0.33 -0.04 -0.03 0.00 0.07 0.00 0.00 59.98 60.31 1par h ARG 23 Cb 0.47 -0.13 0.00 0.00 0.08 0.00 0.00 29.97 30.39 1par h ARG 23 CO -0.37 0.39 -0.43 -0.22 -1.07 0.00 0.00 179.97 178.27 1par h LYS 24 N 0.60 -1.07 -0.72 0.04 3.64 -0.19 0.79 116.57 119.65 1par h LYS 24 Ca 0.29 0.07 0.15 0.00 -1.27 0.00 0.00 60.65 59.89 1par h LYS 24 Cb 0.21 0.24 -0.11 0.00 -0.41 0.00 0.00 32.23 32.17 1par h LYS 24 CO -0.20 -0.72 0.19 0.28 -2.27 0.00 0.00 179.45 176.73 1par h VAL 25 N -1.12 0.54 -0.90 2.00 2.07 -0.62 0.49 116.25 118.73 1par h VAL 25 Ca -0.10 -0.10 -0.00 0.00 0.82 0.00 0.00 66.70 67.31 1par h VAL 25 Cb 0.88 0.23 -0.04 0.00 -1.52 0.00 0.00 31.29 30.84 1par h VAL 25 CO 0.13 0.05 0.54 0.00 0.02 0.00 0.00 177.57 178.31 1par h ALA 26 N 1.59 1.27 -0.92 1.67 0.00 0.19 -0.09 119.26 122.98 1par h ALA 26 Ca 0.40 -0.10 -0.01 0.00 0.00 0.00 0.00 54.91 55.21 1par h ALA 26 Cb 0.67 -0.36 -0.04 0.00 0.00 0.00 0.00 17.79 18.06 1par h ALA 26 CO -0.49 0.63 0.53 0.93 0.00 0.00 0.00 179.25 180.86 1par h GLU 27 N 1.23 1.25 -0.14 0.00 4.39 0.23 -2.44 114.58 119.12 1par h GLU 27 Ca 0.32 -0.13 -0.08 0.00 0.34 0.00 0.00 59.36 59.82 1par h GLU 27 Cb -0.06 -0.26 -0.01 0.00 -0.10 0.00 0.00 28.75 28.32 1par h GLU 27 CO -0.06 0.89 -0.27 1.49 -1.16 0.00 0.00 179.01 179.90 1par h GLU 28 N 1.27 0.25 -0.02 2.33 4.81 0.11 -3.13 114.58 120.19 1par h GLU 28 Ca 0.33 -0.09 0.00 0.00 -0.13 0.00 0.00 59.36 59.47 1par h GLU 28 Cb -0.02 -0.02 0.00 0.00 0.63 0.00 0.00 28.75 29.34 1par h GLU 28 CO -0.06 0.51 -0.31 0.09 -0.73 0.00 0.00 179.01 178.51 1par n ASN 29 N -4.15 2.37 0.00 1.04 5.03 -0.42 -4.99 115.26 114.14 1par n ASN 29 Ca -0.01 -1.69 0.00 0.00 0.87 0.00 0.00 54.58 53.75 1par n ASN 29 Cb 0.37 0.31 0.00 0.00 -1.02 0.00 0.00 39.78 39.44 1par n ASN 29 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 1par n GLY 30 N 1.40 0.51 3.50 7.41 0.00 -0.94 -5.06 105.19 112.00 1par n GLY 30 Ca 0.11 -0.88 -0.24 0.00 0.00 0.00 0.00 46.02 45.01 1par n GLY 30 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1par s ARG 31 N -2.08 1.71 0.86 1.61 0.52 -1.06 -5.07 118.95 115.45 1par s ARG 31 Ca 0.00 -1.86 -0.11 0.00 -0.52 0.00 0.00 55.73 53.24 1par s ARG 31 Cb 0.00 -1.55 0.11 0.00 0.52 0.00 0.00 34.95 34.03 1par s ARG 31 CO 0.00 0.14 1.10 -1.54 0.02 0.00 0.00 175.30 175.02 1par s SER 32 N -3.54 3.69 0.22 0.23 1.04 -1.26 -4.35 113.70 109.73 1par s SER 32 Ca 0.31 1.71 -0.08 0.00 0.48 0.00 0.00 55.95 58.37 1par s SER 32 Cb 0.02 -2.37 0.19 0.00 0.10 0.00 0.00 66.02 63.96 1par s SER 32 CO 0.15 -2.54 1.86 0.58 0.98 0.00 0.00 173.24 174.28 1par h VAL 33 N -1.48 1.24 -0.73 5.02 2.07 -1.92 -0.17 116.25 120.29 1par h VAL 33 Ca -0.47 -0.54 0.09 0.00 0.82 0.00 0.00 66.70 66.59 1par h VAL 33 Cb 1.26 0.05 -0.05 0.00 -1.52 0.00 0.00 31.29 31.03 1par h VAL 33 CO 0.51 0.26 0.48 -1.13 0.02 0.00 0.00 177.57 177.71 1par h ASN 34 N 1.19 0.59 0.53 0.57 -1.24 -2.00 -1.28 115.58 113.94 1par h ASN 34 Ca 0.31 0.01 -0.29 0.00 0.71 0.00 0.00 56.30 57.04 1par h ASN 34 Cb -0.03 -0.11 -0.01 0.00 0.73 0.00 0.00 38.32 38.89 1par h ASN 34 CO -0.06 0.36 -1.46 0.28 -1.29 0.00 0.00 177.43 175.26 1par h SER 35 N 0.66 0.31 0.49 1.15 0.02 -1.77 -2.54 113.55 111.87 1par h SER 35 Ca 0.33 -0.42 -0.01 0.00 -0.84 0.00 0.00 61.79 60.84 1par h SER 35 Cb 0.41 -0.10 -0.01 0.00 0.14 0.00 0.00 62.40 62.84 1par h SER 35 CO -0.11 1.35 -0.35 -0.08 -1.14 0.00 0.00 176.83 176.49 1par h GLU 36 N 0.05 -0.79 -0.15 3.45 4.57 -0.32 0.11 114.58 121.49 1par h GLU 36 Ca -0.21 0.05 0.05 0.00 -1.18 0.00 0.00 59.36 58.07 1par h GLU 36 Cb 1.98 0.18 -0.05 0.00 -0.16 0.00 0.00 28.75 30.70 1par h GLU 36 CO 0.15 -0.53 -0.16 0.82 -1.18 0.00 0.00 179.01 178.11 1par h ILE 37 N -0.82 0.56 -0.91 2.32 2.04 -1.36 0.36 117.51 119.69 1par h ILE 37 Ca -0.05 0.00 0.04 0.00 1.00 0.00 0.00 64.86 65.85 1par h ILE 37 Cb 0.69 0.56 -0.05 0.00 -0.74 0.00 0.00 36.82 37.28 1par h ILE 37 CO 0.02 0.00 0.60 0.22 0.00 0.00 0.00 178.15 178.99 1par h TYR 38 N -0.20 1.09 -0.03 1.37 5.03 -1.42 0.24 116.97 123.06 1par h TYR 38 Ca 0.10 0.03 -0.00 0.00 2.58 0.00 0.00 58.73 61.44 1par h TYR 38 Cb 0.35 -0.36 -0.00 0.00 1.55 0.00 0.00 36.73 38.26 1par h TYR 38 CO -0.29 0.61 0.01 0.37 -1.32 0.00 0.00 178.16 177.55 1par h GLN 39 N 1.11 0.04 -0.47 1.82 5.75 0.11 -0.45 115.11 123.03 1par h GLN 39 Ca 0.37 -0.01 -0.01 0.00 -0.15 0.00 0.00 58.65 58.86 1par h GLN 39 Cb 0.07 -0.01 -0.02 0.00 1.07 0.00 0.00 27.48 28.59 1par h GLN 39 CO -0.12 0.17 0.27 0.00 -2.65 0.00 0.00 178.83 176.49 1par h ARG 40 N -0.09 0.65 0.17 1.69 3.08 -0.48 -0.69 114.38 118.71 1par h ARG 40 Ca 0.01 -0.07 0.01 0.00 0.07 0.00 0.00 59.98 60.00 1par h ARG 40 Cb 0.14 -0.13 -0.03 0.00 0.08 0.00 0.00 29.97 30.03 1par h ARG 40 CO -0.00 0.50 -0.24 0.28 -1.07 0.00 0.00 179.97 179.44 1par h VAL 41 N 0.62 0.47 -0.36 2.04 2.07 -0.44 -0.53 116.25 120.12 1par h VAL 41 Ca 0.17 0.00 0.07 0.00 0.82 0.00 0.00 66.70 67.76 1par h VAL 41 Cb 0.03 0.47 -0.09 0.00 -1.52 0.00 0.00 31.29 30.19 1par h VAL 41 CO -0.03 0.00 -0.34 0.24 0.02 0.00 0.00 177.57 177.46 1par h MET 42 N -0.47 -0.28 -0.45 1.57 2.86 -0.79 -1.01 114.93 116.37 1par h MET 42 Ca 0.02 0.02 0.07 0.00 -2.06 0.00 0.00 59.70 57.75 1par h MET 42 Cb 0.47 0.06 -0.09 0.00 0.06 0.00 0.00 31.60 32.10 1par h MET 42 CO -0.10 -0.18 -0.45 1.49 1.06 0.00 0.00 176.91 178.72 1par h GLU 43 N -0.29 -0.30 -0.87 1.72 4.81 -0.74 0.45 114.58 119.36 1par h GLU 43 Ca 0.16 0.02 0.23 0.00 -0.13 0.00 0.00 59.36 59.63 1par h GLU 43 Cb 0.55 0.07 -0.14 0.00 0.63 0.00 0.00 28.75 29.86 1par h GLU 43 CO -0.52 -0.20 0.25 0.66 -0.73 0.00 0.00 179.01 178.47 1par h SER 44 N -0.31 0.04 -0.51 1.04 4.64 0.17 1.20 113.55 119.82 1par h SER 44 Ca 0.14 0.19 -0.11 0.00 -0.47 0.00 0.00 61.79 61.53 1par h SER 44 Cb 0.58 0.24 -0.02 0.00 -0.31 0.00 0.00 62.40 62.90 1par h SER 44 CO -0.61 -0.13 -0.13 -0.26 -0.87 0.00 0.00 176.83 174.84 1par h PHE 45 N 0.24 1.11 -0.87 4.77 0.05 0.06 -2.26 116.94 120.04 1par h PHE 45 Ca 0.54 -0.24 0.15 0.00 3.82 0.00 0.00 57.97 62.24 1par h PHE 45 Cb 1.07 -0.27 -0.15 0.00 2.00 0.00 0.00 35.95 38.60 1par h PHE 45 CO -0.25 1.05 -0.31 0.87 -0.18 0.00 0.00 178.31 179.49 1par h LYS 46 N 0.84 -0.03 -0.60 1.51 1.79 0.58 0.24 116.57 120.90 1par h LYS 46 Ca 0.13 0.00 -0.06 0.00 -2.18 0.00 0.00 60.65 58.54 1par h LYS 46 Cb 0.70 0.01 -0.02 0.00 -1.58 0.00 0.00 32.23 31.33 1par h LYS 46 CO 0.05 -0.02 0.15 0.87 -1.08 0.00 0.00 179.45 179.42 1par h LYS 47 N -0.04 0.96 -0.31 3.15 1.57 -1.05 -2.02 116.57 118.84 1par h LYS 47 Ca 0.35 -0.23 0.00 0.00 -1.87 0.00 0.00 60.65 58.90 1par h LYS 47 Cb 0.61 -0.13 0.00 0.00 0.08 0.00 0.00 32.23 32.79 1par h LYS 47 CO -0.90 0.88 0.00 0.39 -0.57 0.00 0.00 179.45 179.26 1par n GLU 48 N -4.35 0.61 -4.13 3.15 1.02 0.78 -4.81 120.64 112.90 1par n GLU 48 Ca 0.03 0.00 -0.41 0.00 -0.02 0.00 0.00 57.16 56.76 1par n GLU 48 Cb 0.24 -1.16 -0.01 0.00 -0.02 0.00 0.00 31.44 30.49 1par n GLU 48 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1par n GLY 49 N 0.15 -0.60 0.00 0.62 0.00 -0.76 -4.88 105.19 99.72 1par n GLY 49 Ca 0.00 0.28 0.00 0.00 0.00 0.00 0.00 46.02 46.30 1par n GLY 49 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 1par n ARG 50 N -4.81 0.00 -0.97 1.61 3.00 -1.13 -5.07 116.66 109.29 1par n ARG 50 Ca -0.17 0.00 -0.35 0.00 -0.00 0.00 0.00 57.85 57.33 1par n ARG 50 Cb 0.58 0.00 0.07 0.00 0.00 0.00 0.00 32.46 33.10 1par n ARG 50 CO 0.00 0.00 0.00 0.44 0.00 0.00 0.00 177.63 178.07 1par n ILE 51 N -1.26 0.16 0.00 5.15 -6.64 -1.26 -4.65 119.36 110.86 1par n ILE 51 Ca 0.00 -0.39 0.00 0.00 -1.77 0.00 0.00 62.75 60.59 1par n ILE 51 Cb 0.00 -0.27 0.00 0.00 -1.44 0.00 0.00 39.64 37.93 1par n ILE 51 CO 0.00 0.00 0.00 0.61 -1.77 0.00 0.00 176.55 175.39 1par n GLY 52 N 2.60 0.00 3.63 3.28 0.00 -1.26 -5.00 105.19 108.43 1par n GLY 52 Ca 0.03 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.05 1par n GLY 52 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32