#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2oqq n SER 2 N 0.00 1.90 -0.13 1.61 3.41 -1.26 -2.46 113.62 116.70 2oqq n SER 2 Ca 0.00 0.38 -0.09 0.00 -0.26 0.00 0.00 58.87 58.90 2oqq n SER 2 Cb 0.00 -0.92 -0.01 0.00 -0.26 0.00 0.00 64.21 63.03 2oqq n SER 2 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2oqq h ALA 3 N -0.56 0.50 -0.19 7.33 0.00 -2.05 -1.43 119.26 122.85 2oqq h ALA 3 Ca -0.44 -0.11 -0.04 0.00 0.00 0.00 0.00 54.91 54.32 2oqq h ALA 3 Cb 1.44 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 19.07 2oqq h ALA 3 CO -0.24 0.06 -0.03 -0.92 0.00 0.00 0.00 179.25 178.12 2oqq h TYR 4 N 0.48 0.40 0.00 0.00 3.20 -1.99 -2.82 116.97 116.24 2oqq h TYR 4 Ca 0.13 -0.08 0.00 0.00 3.14 0.00 0.00 58.73 61.92 2oqq h TYR 4 Cb 0.13 -0.10 0.00 0.00 1.54 0.00 0.00 36.73 38.30 2oqq h TYR 4 CO -0.01 0.59 0.00 1.25 -1.64 0.00 0.00 178.16 178.35 2oqq h LEU 5 N 0.09 0.00 0.00 2.82 5.85 -1.35 -2.29 115.31 120.42 2oqq h LEU 5 Ca 0.05 0.00 -0.17 0.00 0.84 0.00 0.00 57.88 58.60 2oqq h LEU 5 Cb 0.45 0.00 -0.03 0.00 0.37 0.00 0.00 40.66 41.45 2oqq h LEU 5 CO 0.02 0.00 -1.45 -1.54 -0.34 0.00 0.00 178.44 175.13 2oqq n SER 6 N -2.76 0.83 -0.03 1.25 3.41 -0.55 -3.91 113.62 111.86 2oqq n SER 6 Ca 0.00 0.36 0.14 0.00 -0.26 0.00 0.00 58.87 59.12 2oqq n SER 6 Cb 0.23 0.21 0.63 0.00 -0.26 0.00 0.00 64.21 65.02 2oqq n SER 6 CO 0.00 0.00 0.00 -1.84 -0.16 0.00 0.00 175.04 173.04 2oqq n GLU 7 N -2.88 0.33 -0.11 4.33 -0.00 -0.89 -1.96 120.64 119.46 2oqq n GLU 7 Ca -0.10 -0.06 -0.13 0.00 -0.00 0.00 0.00 57.16 56.86 2oqq n GLU 7 Cb 0.84 -1.50 -0.14 0.00 -0.00 0.00 0.00 31.44 30.64 2oqq n GLU 7 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.13 178.41 2oqq n LEU 8 N -1.28 1.18 0.09 -1.84 4.77 -1.07 -3.02 117.00 115.83 2oqq n LEU 8 Ca 0.11 -0.06 -0.07 0.00 -0.03 0.00 0.00 56.01 55.97 2oqq n LEU 8 Cb 0.29 -0.06 -0.00 0.00 -2.33 0.00 0.00 43.42 41.32 2oqq n LEU 8 CO 0.26 0.67 0.27 -0.33 -1.33 0.00 0.00 177.39 176.93 2oqq h GLU 9 N 0.00 0.10 -0.25 3.23 5.08 -1.67 -1.36 114.58 119.71 2oqq h GLU 9 Ca -0.56 -0.12 -0.18 0.00 -1.00 0.00 0.00 59.36 57.50 2oqq h GLU 9 Cb 2.11 0.03 -0.00 0.00 0.50 0.00 0.00 28.75 31.39 2oqq h GLU 9 CO -0.02 0.90 -0.56 -2.95 -1.00 0.00 0.00 179.01 175.38 2oqq h ASN 10 N 0.05 0.86 0.62 1.42 -1.07 -1.56 -1.33 115.58 114.57 2oqq h ASN 10 Ca -0.03 -0.47 -0.10 0.00 0.07 0.00 0.00 56.30 55.77 2oqq h ASN 10 Cb 1.50 -0.25 -0.01 0.00 -2.07 0.00 0.00 38.32 37.49 2oqq h ASN 10 CO 0.12 1.24 -0.49 -0.09 0.07 0.00 0.00 177.43 178.29 2oqq h ARG 11 N 0.59 0.00 -0.14 4.14 2.43 -1.44 -0.96 114.38 118.99 2oqq h ARG 11 Ca 0.01 0.00 -0.16 0.00 -0.81 0.00 0.00 59.98 59.02 2oqq h ARG 11 Cb 1.15 0.00 0.01 0.00 -0.42 0.00 0.00 29.97 30.71 2oqq h ARG 11 CO 0.12 0.49 -0.54 0.28 -1.51 0.00 0.00 179.97 178.80 2oqq h VAL 12 N 0.00 1.34 0.14 0.20 2.07 -1.07 -1.56 116.25 117.36 2oqq h VAL 12 Ca -0.00 -1.81 -0.01 0.00 0.82 0.00 0.00 66.70 65.70 2oqq h VAL 12 Cb 0.93 2.06 0.00 0.00 -1.52 0.00 0.00 31.29 32.76 2oqq h VAL 12 CO 0.06 0.56 -0.07 0.11 0.02 0.00 0.00 177.57 178.25 2oqq h LYS 13 N 0.27 -0.18 -0.69 1.57 1.57 -0.89 -0.44 116.57 117.78 2oqq h LYS 13 Ca -0.03 0.01 -0.01 0.00 -1.87 0.00 0.00 60.65 58.76 2oqq h LYS 13 Cb 1.17 0.04 -0.03 0.00 0.08 0.00 0.00 32.23 33.49 2oqq h LYS 13 CO 0.11 -0.02 0.40 0.22 -0.57 0.00 0.00 179.45 179.60 2oqq h ASP 14 N -0.30 0.84 -0.82 0.86 3.58 -1.25 -0.40 116.42 118.93 2oqq h ASP 14 Ca -0.02 -0.08 -0.02 0.00 0.42 0.00 0.00 57.03 57.33 2oqq h ASP 14 Cb 0.24 -0.21 -0.04 0.00 1.72 0.00 0.00 39.33 41.04 2oqq h ASP 14 CO 0.03 0.67 0.42 -0.07 -2.88 0.00 0.00 179.24 177.41 2oqq h LEU 15 N 0.94 1.05 -0.19 2.28 -0.00 -1.18 0.57 115.31 118.79 2oqq h LEU 15 Ca 0.25 -0.11 -0.02 0.00 -0.00 0.00 0.00 57.88 58.00 2oqq h LEU 15 Cb -0.00 -0.27 -0.01 0.00 -0.00 0.00 0.00 40.66 40.38 2oqq h LEU 15 CO -0.04 0.86 0.04 -0.33 -0.00 0.00 0.00 178.44 178.97 2oqq h GLU 16 N 1.16 0.30 0.28 1.13 5.08 -0.46 0.17 114.58 122.24 2oqq h GLU 16 Ca 0.29 -0.08 -0.01 0.00 -1.00 0.00 0.00 59.36 58.56 2oqq h GLU 16 Cb 0.07 -0.04 -0.00 0.00 0.50 0.00 0.00 28.75 29.28 2oqq h GLU 16 CO -0.04 0.45 -0.16 -0.91 -1.00 0.00 0.00 179.01 177.36 2oqq h ASN 17 N 0.10 -0.38 -0.64 1.42 2.35 -0.80 -0.51 115.58 117.12 2oqq h ASN 17 Ca 0.06 0.02 0.03 0.00 -0.55 0.00 0.00 56.30 55.86 2oqq h ASN 17 Cb 0.29 0.11 -0.04 0.00 0.05 0.00 0.00 38.32 38.73 2oqq h ASN 17 CO 0.00 -0.26 0.39 0.50 -1.65 0.00 0.00 177.43 176.41 2oqq h LYS 18 N -0.41 0.74 -0.06 0.81 1.63 -0.84 -0.36 116.57 118.07 2oqq h LYS 18 Ca -0.03 -0.04 -0.10 0.00 -0.85 0.00 0.00 60.65 59.63 2oqq h LYS 18 Cb 0.33 -0.17 -0.01 0.00 -0.60 0.00 0.00 32.23 31.78 2oqq h LYS 18 CO 0.04 0.49 -0.42 -0.91 -3.45 0.00 0.00 179.45 175.20 2oqq h ASN 19 N 0.76 0.14 0.40 4.20 -0.26 -0.49 0.12 115.58 120.45 2oqq h ASN 19 Ca 0.26 -0.06 -0.13 0.00 -0.56 0.00 0.00 56.30 55.81 2oqq h ASN 19 Cb 0.04 -0.04 -0.01 0.00 -1.06 0.00 0.00 38.32 37.25 2oqq h ASN 19 CO -0.11 0.54 -0.56 0.28 -1.06 0.00 0.00 177.43 176.52 2oqq h SER 20 N 0.11 0.19 -0.29 5.81 0.02 -0.51 -2.07 113.55 116.81 2oqq h SER 20 Ca 0.01 -0.10 -0.10 0.00 -0.84 0.00 0.00 61.79 60.75 2oqq h SER 20 Cb 0.79 -0.05 -0.01 0.00 0.14 0.00 0.00 62.40 63.27 2oqq h SER 20 CO 0.06 0.71 -0.23 -0.08 -1.14 0.00 0.00 176.83 176.15 2oqq h GLU 21 N 0.13 0.66 -0.75 3.45 4.81 -0.45 -2.82 114.58 119.61 2oqq h GLU 21 Ca -0.00 -0.33 -0.03 0.00 -0.13 0.00 0.00 59.36 58.86 2oqq h GLU 21 Cb 1.03 0.00 -0.03 0.00 0.63 0.00 0.00 28.75 30.38 2oqq h GLU 21 CO 0.08 0.93 0.34 -0.07 -0.73 0.00 0.00 179.01 179.56 2oqq h LEU 22 N 0.40 1.00 -1.47 1.64 3.38 -0.82 -2.13 115.31 117.31 2oqq h LEU 22 Ca 0.05 -0.13 -0.04 0.00 0.09 0.00 0.00 57.88 57.86 2oqq h LEU 22 Cb 0.78 -0.26 -0.01 0.00 0.09 0.00 0.00 40.66 41.26 2oqq h LEU 22 CO 0.06 0.86 -0.06 -0.33 0.09 0.00 0.00 178.44 179.07 2oqq h GLU 23 N 1.08 0.28 -0.22 1.13 5.08 -1.27 -0.92 114.58 119.73 2oqq h GLU 23 Ca 0.26 -0.05 -0.11 0.00 -1.00 0.00 0.00 59.36 58.45 2oqq h GLU 23 Cb 0.15 -0.04 -0.00 0.00 0.50 0.00 0.00 28.75 29.35 2oqq h GLU 23 CO -0.03 0.35 -0.31 0.93 -1.00 0.00 0.00 179.01 178.96 2oqq h GLU 24 N 0.27 0.60 -0.75 2.33 5.08 -1.15 -1.69 114.58 119.26 2oqq h GLU 24 Ca 0.06 -0.35 -0.01 0.00 -1.00 0.00 0.00 59.36 58.06 2oqq h GLU 24 Cb 0.28 0.03 -0.04 0.00 0.50 0.00 0.00 28.75 29.52 2oqq h GLU 24 CO 0.01 0.95 0.42 0.00 -1.00 0.00 0.00 179.01 179.39 2oqq h ARG 25 N 0.29 1.03 -0.27 2.33 3.08 -0.97 -0.41 114.38 119.46 2oqq h ARG 25 Ca 0.02 -0.11 -0.01 0.00 0.07 0.00 0.00 59.98 59.95 2oqq h ARG 25 Cb 0.88 -0.21 -0.01 0.00 0.08 0.00 0.00 29.97 30.71 2oqq h ARG 25 CO 0.07 0.75 0.12 1.25 -1.07 0.00 0.00 179.97 181.09 2oqq h LEU 26 N 1.04 0.36 -0.51 3.04 5.85 -1.05 -1.52 115.31 122.52 2oqq h LEU 26 Ca 0.27 -0.15 0.01 0.00 0.84 0.00 0.00 57.88 58.85 2oqq h LEU 26 Cb 0.01 -0.09 -0.03 0.00 0.37 0.00 0.00 40.66 40.92 2oqq h LEU 26 CO -0.04 0.41 0.32 -1.28 -0.34 0.00 0.00 178.44 177.51 2oqq h SER 27 N 0.29 0.55 0.06 1.25 0.87 -0.77 -0.75 113.55 115.04 2oqq h SER 27 Ca 0.09 -0.01 0.01 0.00 -1.23 0.00 0.00 61.79 60.66 2oqq h SER 27 Cb 0.15 -0.13 -0.02 0.00 -0.44 0.00 0.00 62.40 61.97 2oqq h SER 27 CO -0.01 0.39 -0.14 0.74 -0.53 0.00 0.00 176.83 177.28 2oqq h THR 28 N 0.66 0.67 -0.67 2.23 2.02 -0.79 -1.66 112.91 115.36 2oqq h THR 28 Ca 0.20 0.00 -0.07 0.00 0.77 0.00 0.00 66.41 67.31 2oqq h THR 28 Cb -0.03 0.67 -0.03 0.00 -1.74 0.00 0.00 68.15 67.02 2oqq h THR 28 CO -0.07 0.00 0.16 -0.07 0.37 0.00 0.00 175.52 175.91 2oqq h LEU 29 N -0.26 1.01 -1.09 2.58 3.38 -1.09 -0.69 115.31 119.16 2oqq h LEU 29 Ca 0.03 -0.21 -0.01 0.00 0.09 0.00 0.00 57.88 57.78 2oqq h LEU 29 Cb 0.29 -0.27 -0.04 0.00 0.09 0.00 0.00 40.66 40.73 2oqq h LEU 29 CO -0.09 0.98 0.47 1.56 0.09 0.00 0.00 178.44 181.44 2oqq h GLN 30 N 1.02 1.10 -0.10 1.13 4.20 -0.97 0.37 115.11 121.85 2oqq h GLN 30 Ca 0.21 -0.10 -0.17 0.00 0.06 0.00 0.00 58.65 58.65 2oqq h GLN 30 Cb 0.36 -0.23 -0.01 0.00 0.30 0.00 0.00 27.48 27.91 2oqq h GLN 30 CO 0.00 0.78 -0.66 -0.91 -0.67 0.00 0.00 178.83 177.37 2oqq h ASN 31 N 1.11 0.45 -0.10 1.46 2.35 -0.78 -1.20 115.58 118.87 2oqq h ASN 31 Ca 0.29 -0.27 -0.18 0.00 -0.55 0.00 0.00 56.30 55.59 2oqq h ASN 31 Cb -0.02 -0.13 0.01 0.00 0.05 0.00 0.00 38.32 38.22 2oqq h ASN 31 CO -0.05 0.98 -0.62 -0.08 -1.65 0.00 0.00 177.43 176.01 2oqq h GLU 32 N 0.28 0.61 -0.64 0.81 4.81 -0.60 -2.89 114.58 116.95 2oqq h GLU 32 Ca -0.02 -0.51 -0.04 0.00 -0.13 0.00 0.00 59.36 58.66 2oqq h GLU 32 Cb 1.20 0.11 -0.03 0.00 0.63 0.00 0.00 28.75 30.67 2oqq h GLU 32 CO 0.11 1.13 0.23 -0.91 -0.73 0.00 0.00 179.01 178.84 2oqq h ASN 33 N 0.24 0.92 -0.97 1.04 2.35 -0.27 -0.04 115.58 118.84 2oqq h ASN 33 Ca -0.05 -0.19 0.02 0.00 -0.55 0.00 0.00 56.30 55.53 2oqq h ASN 33 Cb 1.27 -0.24 -0.05 0.00 0.05 0.00 0.00 38.32 39.35 2oqq h ASN 33 CO 0.13 0.86 0.64 -0.61 -1.65 0.00 0.00 177.43 176.80 2oqq h GLN 34 N 0.92 1.24 -0.42 0.81 4.15 -1.25 0.18 115.11 120.74 2oqq h GLN 34 Ca 0.21 -0.07 -0.07 0.00 0.77 0.00 0.00 58.65 59.49 2oqq h GLN 34 Cb 0.25 -0.28 -0.01 0.00 0.21 0.00 0.00 27.48 27.65 2oqq h GLN 34 CO -0.01 0.82 -0.00 1.98 -1.93 0.00 0.00 178.83 179.68 2oqq h MET 35 N 1.28 0.74 -0.52 1.69 4.05 -1.21 -1.37 114.93 119.58 2oqq h MET 35 Ca 0.37 -0.24 -0.06 0.00 -0.28 0.00 0.00 59.70 59.50 2oqq h MET 35 Cb -0.08 -0.07 -0.02 0.00 -0.80 0.00 0.00 31.60 30.63 2oqq h MET 35 CO -0.10 0.82 0.08 -0.07 0.23 0.00 0.00 176.91 177.87 2oqq h LEU 36 N 0.57 0.78 -0.60 3.39 3.38 -0.37 -1.26 115.31 121.20 2oqq h LEU 36 Ca 0.12 -0.16 -0.09 0.00 0.09 0.00 0.00 57.88 57.84 2oqq h LEU 36 Cb 0.49 -0.20 -0.02 0.00 0.09 0.00 0.00 40.66 41.01 2oqq h LEU 36 CO 0.02 0.79 0.04 0.03 0.09 0.00 0.00 178.44 179.41 2oqq h ARG 37 N 0.78 1.03 -0.63 1.13 3.08 -0.47 0.54 114.38 119.84 2oqq h ARG 37 Ca 0.17 -0.31 -0.02 0.00 0.07 0.00 0.00 59.98 59.89 2oqq h ARG 37 Cb 0.36 -0.10 -0.03 0.00 0.08 0.00 0.00 29.97 30.27 2oqq h ARG 37 CO 0.01 1.00 0.32 0.45 -1.07 0.00 0.00 179.97 180.67 2oqq h HIS 38 N 0.93 0.87 -0.17 3.04 3.86 -0.65 0.85 115.15 123.88 2oqq h HIS 38 Ca 0.17 -0.02 -0.14 0.00 -1.16 0.00 0.00 60.37 59.22 2oqq h HIS 38 Cb 0.51 -0.28 0.00 0.00 1.06 0.00 0.00 27.41 28.70 2oqq h HIS 38 CO 0.04 0.63 -0.43 0.82 0.86 0.00 0.00 177.93 179.84 2oqq h ILE 39 N 0.89 1.34 -0.23 2.45 2.04 -0.90 0.11 117.51 123.21 2oqq h ILE 39 Ca 0.22 -1.69 -0.01 0.00 1.00 0.00 0.00 64.86 64.39 2oqq h ILE 39 Cb 0.07 1.96 -0.01 0.00 -0.74 0.00 0.00 36.82 38.10 2oqq h ILE 39 CO -0.03 0.52 0.11 0.25 0.00 0.00 0.00 178.15 179.00 2oqq h LEU 40 N 0.25 0.29 -0.42 1.44 6.46 -0.49 -3.25 115.31 119.60 2oqq h LEU 40 Ca -0.01 -0.11 0.05 0.00 -0.12 0.00 0.00 57.88 57.69 2oqq h LEU 40 Cb 1.05 -0.08 -0.04 0.00 -0.73 0.00 0.00 40.66 40.86 2oqq h LEU 40 CO 0.09 0.32 0.17 0.11 -0.62 0.00 0.00 178.44 178.52 2oqq h LYS 41 N 0.24 0.34 -0.01 1.25 1.57 0.90 -3.51 116.57 117.36 2oqq h LYS 41 Ca 0.08 -0.02 0.00 0.00 -1.87 0.00 0.00 60.65 58.84 2oqq h LYS 41 Cb 0.10 -0.08 0.00 0.00 0.08 0.00 0.00 32.23 32.34 2oqq h LYS 41 CO -0.01 0.22 0.00 0.09 -0.57 0.00 0.00 179.45 179.18