#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2oqq h SER 2 N 0.00 0.96 0.88 1.61 0.87 -2.04 2.33 113.55 118.16 2oqq h SER 2 Ca 0.00 -0.01 -0.02 0.00 -1.23 0.00 0.00 61.79 60.53 2oqq h SER 2 Cb 0.00 -0.23 -0.00 0.00 -0.44 0.00 0.00 62.40 61.73 2oqq h SER 2 CO 0.00 0.67 -1.13 0.00 -0.53 0.00 0.00 176.83 175.84 2oqq n ALA 3 N -2.34 2.49 0.05 6.23 0.00 -1.26 -2.71 120.51 122.98 2oqq n ALA 3 Ca 0.10 -0.29 -0.10 0.00 0.00 0.00 0.00 53.44 53.15 2oqq n ALA 3 Cb 0.06 -1.06 -0.07 0.00 0.00 0.00 0.00 19.45 18.37 2oqq n ALA 3 CO 0.00 0.00 0.00 -0.92 0.00 0.00 0.00 177.50 176.58 2oqq h TYR 4 N 0.00 -0.21 0.32 0.00 3.20 -1.73 -2.56 116.97 116.00 2oqq h TYR 4 Ca -0.02 -0.00 -0.01 0.00 3.14 0.00 0.00 58.73 61.84 2oqq h TYR 4 Cb 1.05 0.07 -0.01 0.00 1.54 0.00 0.00 36.73 39.39 2oqq h TYR 4 CO 0.00 0.22 -0.21 1.25 -1.64 0.00 0.00 178.16 177.78 2oqq h LEU 5 N -0.88 -0.53 -0.39 2.82 5.85 0.37 1.54 115.31 124.09 2oqq h LEU 5 Ca -0.02 0.04 0.08 0.00 0.84 0.00 0.00 57.88 58.81 2oqq h LEU 5 Cb 0.52 0.16 -0.09 0.00 0.37 0.00 0.00 40.66 41.62 2oqq h LEU 5 CO 0.04 -0.33 -0.26 0.77 -0.34 0.00 0.00 178.44 178.31 2oqq h SER 6 N -0.52 -0.88 1.27 1.25 4.64 -1.63 0.15 113.55 117.82 2oqq h SER 6 Ca -0.03 0.17 0.00 0.00 -0.47 0.00 0.00 61.79 61.46 2oqq h SER 6 Cb 0.44 0.44 0.00 0.00 -0.31 0.00 0.00 62.40 62.96 2oqq h SER 6 CO 0.02 -0.28 0.00 -0.33 -0.87 0.00 0.00 176.83 175.37 2oqq h GLU 7 N -0.20 0.00 0.10 4.77 4.39 -1.13 -0.61 114.58 121.90 2oqq h GLU 7 Ca 0.18 0.00 -0.00 0.00 0.34 0.00 0.00 59.36 59.88 2oqq h GLU 7 Cb 0.49 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.14 2oqq h GLU 7 CO -0.51 0.00 -0.05 1.25 -1.16 0.00 0.00 179.01 178.54 2oqq h LEU 8 N 0.00 -0.11 -0.04 1.33 5.85 0.48 -2.42 115.31 120.40 2oqq h LEU 8 Ca 0.00 -0.39 0.00 0.00 0.84 0.00 0.00 57.88 58.33 2oqq h LEU 8 Cb 0.63 0.03 0.00 0.00 0.37 0.00 0.00 40.66 41.69 2oqq h LEU 8 CO 0.00 0.52 -0.02 -0.62 -0.34 0.00 0.00 178.44 177.98 2oqq n GLU 9 N -4.83 0.54 -0.05 1.25 -0.58 0.07 -1.76 120.64 115.28 2oqq n GLU 9 Ca -0.06 -0.04 -0.15 0.00 -0.42 0.00 0.00 57.16 56.49 2oqq n GLU 9 Cb 0.24 -1.50 -0.04 0.00 -0.57 0.00 0.00 31.44 29.58 2oqq n GLU 9 CO 0.00 0.00 0.00 -0.97 -0.48 0.00 0.00 177.13 175.68 2oqq h ASN 10 N 0.10 0.93 -0.23 1.62 -0.73 -1.11 -2.66 115.58 113.51 2oqq h ASN 10 Ca 0.00 -0.53 -0.06 0.00 1.87 0.00 0.00 56.30 57.58 2oqq h ASN 10 Cb 0.26 -0.27 -0.02 0.00 0.27 0.00 0.00 38.32 38.57 2oqq h ASN 10 CO 0.00 1.32 -0.04 -0.09 -0.37 0.00 0.00 177.43 178.25 2oqq h ARG 11 N 0.61 0.55 0.05 6.67 2.43 -0.82 -2.72 114.38 121.16 2oqq h ARG 11 Ca -0.00 -0.13 -0.23 0.00 -0.81 0.00 0.00 59.98 58.80 2oqq h ARG 11 Cb 1.22 -0.07 -0.01 0.00 -0.42 0.00 0.00 29.97 30.69 2oqq h ARG 11 CO 0.13 0.61 -1.03 -0.39 -1.51 0.00 0.00 179.97 177.78 2oqq h VAL 12 N 0.52 1.51 -0.58 0.20 -1.51 -1.46 0.25 116.25 115.19 2oqq h VAL 12 Ca 0.11 -2.84 0.01 0.00 -1.23 0.00 0.00 66.70 62.75 2oqq h VAL 12 Cb 0.39 2.67 -0.03 0.00 -2.13 0.00 0.00 31.29 32.19 2oqq h VAL 12 CO 0.02 0.83 0.38 0.11 -1.23 0.00 0.00 177.57 177.68 2oqq h LYS 13 N 0.10 0.73 -0.13 5.19 1.57 -1.28 0.51 116.57 123.26 2oqq h LYS 13 Ca -0.08 -0.04 -0.19 0.00 -1.87 0.00 0.00 60.65 58.47 2oqq h LYS 13 Cb 1.71 -0.17 0.01 0.00 0.08 0.00 0.00 32.23 33.86 2oqq h LYS 13 CO 0.16 0.49 -0.66 0.22 -0.57 0.00 0.00 179.45 179.09 2oqq h ASP 14 N 0.76 0.81 -0.00 0.86 3.58 -1.24 -2.43 116.42 118.75 2oqq h ASP 14 Ca 0.22 -0.63 -0.10 0.00 0.42 0.00 0.00 57.03 56.93 2oqq h ASP 14 Cb -0.04 -0.24 -0.01 0.00 1.72 0.00 0.00 39.33 40.75 2oqq h ASP 14 CO -0.05 1.31 -0.29 -0.07 -2.88 0.00 0.00 179.24 177.26 2oqq h LEU 15 N 0.36 0.45 -0.19 2.28 3.38 0.48 -1.40 115.31 120.66 2oqq h LEU 15 Ca -0.04 -0.16 -0.22 0.00 0.09 0.00 0.00 57.88 57.55 2oqq h LEU 15 Cb 1.30 -0.12 0.01 0.00 0.09 0.00 0.00 40.66 41.93 2oqq h LEU 15 CO 0.14 0.73 -0.74 -0.33 0.09 0.00 0.00 178.44 178.33 2oqq h GLU 16 N 0.38 0.81 -0.79 1.13 5.08 -0.06 -1.41 114.58 119.73 2oqq h GLU 16 Ca 0.05 -0.63 -0.04 0.00 -1.00 0.00 0.00 59.36 57.74 2oqq h GLU 16 Cb 0.71 0.12 -0.04 0.00 0.50 0.00 0.00 28.75 30.05 2oqq h GLU 16 CO 0.05 1.24 0.35 -0.91 -1.00 0.00 0.00 179.01 178.74 2oqq h ASN 17 N 0.57 1.07 0.06 1.42 2.35 -1.28 -1.38 115.58 118.38 2oqq h ASN 17 Ca -0.04 -0.16 -0.10 0.00 -0.55 0.00 0.00 56.30 55.46 2oqq h ASN 17 Cb 1.36 -0.28 -0.01 0.00 0.05 0.00 0.00 38.32 39.44 2oqq h ASN 17 CO 0.15 0.93 -0.31 0.50 -1.65 0.00 0.00 177.43 177.05 2oqq h LYS 18 N 1.13 0.38 -0.48 0.81 1.63 -1.19 -2.25 116.57 116.60 2oqq h LYS 18 Ca 0.27 -0.15 -0.11 0.00 -0.85 0.00 0.00 60.65 59.80 2oqq h LYS 18 Cb 0.17 -0.02 -0.01 0.00 -0.60 0.00 0.00 32.23 31.77 2oqq h LYS 18 CO -0.03 0.66 -0.14 -0.97 -3.45 0.00 0.00 179.45 175.52 2oqq h ASN 19 N 0.33 0.96 -0.42 4.20 -1.24 -0.63 -1.35 115.58 117.43 2oqq h ASN 19 Ca 0.04 -0.37 -0.03 0.00 0.71 0.00 0.00 56.30 56.65 2oqq h ASN 19 Cb 0.72 -0.26 -0.02 0.00 0.73 0.00 0.00 38.32 39.49 2oqq h ASN 19 CO 0.05 1.11 0.15 0.28 -1.29 0.00 0.00 177.43 177.73 2oqq h SER 20 N 0.80 0.60 0.23 1.15 0.02 -1.08 -0.79 113.55 114.48 2oqq h SER 20 Ca 0.12 -0.19 0.01 0.00 -0.84 0.00 0.00 61.79 60.89 2oqq h SER 20 Cb 0.70 -0.16 -0.03 0.00 0.14 0.00 0.00 62.40 63.05 2oqq h SER 20 CO 0.05 0.63 -0.34 -0.08 -1.14 0.00 0.00 176.83 175.95 2oqq h GLU 21 N 0.54 -0.61 -0.61 3.45 4.81 -1.23 -0.54 114.58 120.39 2oqq h GLU 21 Ca 0.14 0.04 0.09 0.00 -0.13 0.00 0.00 59.36 59.50 2oqq h GLU 21 Cb 0.23 0.14 -0.07 0.00 0.63 0.00 0.00 28.75 29.68 2oqq h GLU 21 CO -0.01 -0.41 0.24 -0.07 -0.73 0.00 0.00 179.01 178.04 2oqq h LEU 22 N -0.64 0.26 -0.83 1.64 3.38 -1.10 -1.06 115.31 116.96 2oqq h LEU 22 Ca 0.00 0.07 0.03 0.00 0.09 0.00 0.00 57.88 58.08 2oqq h LEU 22 Cb 0.62 0.04 -0.05 0.00 0.09 0.00 0.00 40.66 41.36 2oqq h LEU 22 CO -0.13 0.16 0.53 -0.33 0.09 0.00 0.00 178.44 178.76 2oqq h GLU 23 N 0.44 0.99 -0.62 1.13 5.08 -0.62 0.69 114.58 121.67 2oqq h GLU 23 Ca 0.31 -0.06 -0.07 0.00 -1.00 0.00 0.00 59.36 58.53 2oqq h GLU 23 Cb 0.36 -0.22 -0.02 0.00 0.50 0.00 0.00 28.75 29.36 2oqq h GLU 23 CO -0.29 0.66 0.10 0.93 -1.00 0.00 0.00 179.01 179.41 2oqq h GLU 24 N 1.02 1.02 -0.61 2.33 5.08 -0.13 -1.39 114.58 121.91 2oqq h GLU 24 Ca 0.33 -0.27 -0.06 0.00 -1.00 0.00 0.00 59.36 58.36 2oqq h GLU 24 Cb 0.02 -0.12 -0.02 0.00 0.50 0.00 0.00 28.75 29.13 2oqq h GLU 24 CO -0.12 0.95 0.14 0.00 -1.00 0.00 0.00 179.01 178.98 2oqq h ARG 25 N 0.93 0.99 -0.13 2.33 3.08 -0.64 -2.30 114.38 118.64 2oqq h ARG 25 Ca 0.19 -0.24 0.03 0.00 0.07 0.00 0.00 59.98 60.02 2oqq h ARG 25 Cb 0.43 -0.13 -0.02 0.00 0.08 0.00 0.00 29.97 30.33 2oqq h ARG 25 CO 0.01 0.91 -0.03 1.25 -1.07 0.00 0.00 179.97 181.04 2oqq h LEU 26 N 0.90 -0.12 -0.44 3.04 7.12 -0.61 -0.36 115.31 124.84 2oqq h LEU 26 Ca 0.19 0.04 0.08 0.00 0.13 0.00 0.00 57.88 58.32 2oqq h LEU 26 Cb 0.37 0.08 -0.07 0.00 -0.53 0.00 0.00 40.66 40.52 2oqq h LEU 26 CO 0.00 -0.04 0.05 -1.28 -0.13 0.00 0.00 178.44 177.04 2oqq h SER 27 N 0.00 -0.09 -0.35 1.25 0.87 -1.10 0.70 113.55 114.83 2oqq h SER 27 Ca 0.06 0.09 0.01 0.00 -1.23 0.00 0.00 61.79 60.72 2oqq h SER 27 Cb 0.09 0.14 -0.02 0.00 -0.44 0.00 0.00 62.40 62.18 2oqq h SER 27 CO -0.13 -0.01 0.22 0.74 -0.53 0.00 0.00 176.83 177.12 2oqq h THR 28 N 0.16 1.07 -0.25 2.23 2.02 -0.88 -1.12 112.91 116.15 2oqq h THR 28 Ca 0.22 -0.15 -0.07 0.00 0.77 0.00 0.00 66.41 67.18 2oqq h THR 28 Cb 0.30 0.58 -0.01 0.00 -1.74 0.00 0.00 68.15 67.27 2oqq h THR 28 CO -0.32 0.08 -0.14 -0.07 0.37 0.00 0.00 175.52 175.44 2oqq h LEU 29 N 0.45 0.40 -0.31 2.58 3.38 -0.38 -1.71 115.31 119.71 2oqq h LEU 29 Ca 0.13 -0.10 -0.09 0.00 0.09 0.00 0.00 57.88 57.92 2oqq h LEU 29 Cb -0.03 -0.11 -0.01 0.00 0.09 0.00 0.00 40.66 40.61 2oqq h LEU 29 CO -0.04 0.56 -0.15 1.56 0.09 0.00 0.00 178.44 180.46 2oqq h GLN 30 N 0.38 0.65 -0.76 1.13 4.20 -0.54 0.18 115.11 120.36 2oqq h GLN 30 Ca 0.07 -0.28 -0.02 0.00 0.06 0.00 0.00 58.65 58.48 2oqq h GLN 30 Cb 0.47 -0.02 -0.04 0.00 0.30 0.00 0.00 27.48 28.19 2oqq h GLN 30 CO 0.03 0.87 0.40 -0.91 -0.67 0.00 0.00 178.83 178.55 2oqq h ASN 31 N 0.42 0.95 -0.33 1.46 2.35 -0.91 -0.10 115.58 119.42 2oqq h ASN 31 Ca 0.07 -0.11 -0.01 0.00 -0.55 0.00 0.00 56.30 55.70 2oqq h ASN 31 Cb 0.67 -0.24 -0.01 0.00 0.05 0.00 0.00 38.32 38.78 2oqq h ASN 31 CO 0.04 0.79 0.15 -0.08 -1.65 0.00 0.00 177.43 176.69 2oqq h GLU 32 N 1.05 0.47 -0.48 0.81 4.81 -1.19 0.33 114.58 120.39 2oqq h GLU 32 Ca 0.26 -0.07 0.07 0.00 -0.13 0.00 0.00 59.36 59.49 2oqq h GLU 32 Cb 0.06 -0.08 -0.06 0.00 0.63 0.00 0.00 28.75 29.30 2oqq h GLU 32 CO -0.04 0.44 0.16 -0.97 -0.73 0.00 0.00 179.01 177.87 2oqq h ASN 33 N 0.39 0.15 -0.33 1.04 -0.73 -0.40 0.07 115.58 115.77 2oqq h ASN 33 Ca 0.11 0.06 -0.13 0.00 1.87 0.00 0.00 56.30 58.22 2oqq h ASN 33 Cb 0.13 0.05 -0.01 0.00 0.27 0.00 0.00 38.32 38.76 2oqq h ASN 33 CO -0.01 0.12 -0.25 1.56 -0.37 0.00 0.00 177.43 178.47 2oqq h GLN 34 N 0.33 0.84 -0.37 6.67 1.08 -0.70 -1.90 115.11 121.06 2oqq h GLN 34 Ca 0.23 -0.36 -0.15 0.00 -1.45 0.00 0.00 58.65 56.92 2oqq h GLN 34 Cb 0.25 -0.03 -0.01 0.00 -0.05 0.00 0.00 27.48 27.64 2oqq h GLN 34 CO -0.24 0.99 -0.37 0.52 -0.95 0.00 0.00 178.83 178.79 2oqq h MET 35 N 0.72 0.86 -0.29 1.46 2.86 -0.52 -0.96 114.93 119.06 2oqq h MET 35 Ca 0.09 -0.44 -0.00 0.00 -2.06 0.00 0.00 59.70 57.29 2oqq h MET 35 Cb 0.79 0.01 -0.01 0.00 0.06 0.00 0.00 31.60 32.45 2oqq h MET 35 CO 0.07 1.08 0.17 -0.07 1.06 0.00 0.00 176.91 179.21 2oqq h LEU 36 N 0.71 0.36 -0.54 1.22 3.38 -0.93 -0.14 115.31 119.36 2oqq h LEU 36 Ca 0.06 -0.07 0.06 0.00 0.09 0.00 0.00 57.88 58.03 2oqq h LEU 36 Cb 0.94 -0.09 -0.05 0.00 0.09 0.00 0.00 40.66 41.54 2oqq h LEU 36 CO 0.09 0.32 0.24 0.03 0.09 0.00 0.00 178.44 179.21 2oqq h ARG 37 N 0.36 0.45 -0.60 1.13 3.08 -1.19 -0.35 114.38 117.26 2oqq h ARG 37 Ca 0.10 -0.03 -0.06 0.00 0.07 0.00 0.00 59.98 60.06 2oqq h ARG 37 Cb 0.04 -0.10 -0.02 0.00 0.08 0.00 0.00 29.97 29.96 2oqq h ARG 37 CO -0.02 0.30 0.14 0.45 -1.07 0.00 0.00 179.97 179.77 2oqq h HIS 38 N 0.46 1.03 -0.45 3.04 3.86 -0.79 -1.36 115.15 120.95 2oqq h HIS 38 Ca 0.25 -0.13 -0.02 0.00 -1.16 0.00 0.00 60.37 59.32 2oqq h HIS 38 Cb 0.23 -0.29 -0.02 0.00 1.06 0.00 0.00 27.41 28.39 2oqq h HIS 38 CO -0.13 0.87 0.21 0.82 0.86 0.00 0.00 177.93 180.56 2oqq h ILE 39 N 0.89 1.19 -0.14 2.45 2.04 -0.53 -2.95 117.51 120.45 2oqq h ILE 39 Ca 0.19 -0.56 -0.10 0.00 1.00 0.00 0.00 64.86 65.39 2oqq h ILE 39 Cb 0.37 0.72 -0.01 0.00 -0.74 0.00 0.00 36.82 37.16 2oqq h ILE 39 CO 0.00 0.21 -0.37 -0.07 0.00 0.00 0.00 178.15 177.93 2oqq h LEU 40 N 0.59 0.31 -0.34 1.44 3.38 -0.92 -2.90 115.31 116.86 2oqq h LEU 40 Ca 0.15 -0.12 0.00 0.00 0.09 0.00 0.00 57.88 58.00 2oqq h LEU 40 Cb 0.14 -0.08 0.00 0.00 0.09 0.00 0.00 40.66 40.81 2oqq h LEU 40 CO -0.02 0.65 0.00 2.29 0.09 0.00 0.00 178.44 181.46 2oqq n LYS 41 N -4.06 0.23 0.00 1.13 2.85 -0.53 -5.10 118.16 112.69 2oqq n LYS 41 Ca -0.01 0.31 0.09 0.00 -1.05 0.00 0.00 58.31 57.65 2oqq n LYS 41 Cb 0.45 -1.84 0.07 0.00 -0.65 0.00 0.00 35.03 33.07 2oqq n LYS 41 CO 0.00 0.00 0.00 0.09 -0.05 0.00 0.00 177.40 177.44