#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2q8v s SER 13 N 0.00 7.27 1.09 -1.43 0.01 -1.26 -5.03 113.70 114.35 2q8v s SER 13 Ca 0.00 2.07 -0.12 0.00 1.31 0.00 0.00 55.95 59.21 2q8v s SER 13 Cb 0.00 -2.61 0.24 0.00 0.21 0.00 0.00 66.02 63.86 2q8v s SER 13 CO 0.00 -0.12 1.04 0.49 0.41 0.00 0.00 173.24 175.05 2q8v n PHE 14 N 0.91 -0.54 -0.19 2.43 3.72 -1.26 -4.80 117.46 117.72 2q8v n PHE 14 Ca 0.00 0.04 -0.02 0.00 -0.05 0.00 0.00 57.45 57.43 2q8v n PHE 14 Cb 0.47 -1.80 0.05 0.00 -0.94 0.00 0.00 39.48 37.26 2q8v n PHE 14 CO 0.00 0.00 0.00 1.49 -0.05 0.00 0.00 176.76 178.20 2q8v h GLU 15 N -2.41 -0.03 -0.88 -1.08 4.57 -2.06 -0.35 114.58 112.34 2q8v h GLU 15 Ca -0.55 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 57.63 2q8v h GLU 15 Cb 1.31 0.01 0.00 0.00 -0.16 0.00 0.00 28.75 29.91 2q8v h GLU 15 CO 0.46 -0.02 0.00 1.04 -1.18 0.00 0.00 179.01 179.31 2q8v n GLN 16 N -5.42 0.00 -0.14 1.92 3.00 -1.26 -2.20 117.38 113.28 2q8v n GLN 16 Ca 0.06 0.00 0.02 0.00 -0.01 0.00 0.00 57.00 57.07 2q8v n GLN 16 Cb 0.32 -0.97 0.07 0.00 0.00 0.00 0.00 30.24 29.67 2q8v n GLN 16 CO 0.00 0.00 0.00 -0.85 0.00 0.00 0.00 177.06 176.21 2q8v n GLU 17 N 0.57 1.59 0.00 -1.09 0.28 -0.14 -2.92 120.64 118.94 2q8v n GLU 17 Ca 0.00 -0.59 0.07 0.00 -0.16 0.00 0.00 57.16 56.48 2q8v n GLU 17 Cb 0.00 -1.42 0.47 0.00 1.43 0.00 0.00 31.44 31.92 2q8v n GLU 17 CO 0.00 0.00 0.00 0.35 -0.16 0.00 0.00 177.13 177.32 2q8v h PHE 18 N 0.83 0.43 -0.87 -1.84 3.57 -1.72 -2.85 116.94 114.49 2q8v h PHE 18 Ca 0.00 0.01 0.18 0.00 3.53 0.00 0.00 57.97 61.69 2q8v h PHE 18 Cb 0.54 -0.14 -0.11 0.00 2.79 0.00 0.00 35.95 39.02 2q8v h PHE 18 CO 0.17 0.25 0.41 1.96 -2.23 0.00 0.00 178.31 178.87 2q8v h GLN 19 N 0.45 0.49 -0.70 1.11 4.20 -1.84 -0.80 115.11 118.03 2q8v h GLN 19 Ca 0.17 -0.03 -0.04 0.00 0.06 0.00 0.00 58.65 58.81 2q8v h GLN 19 Cb 0.13 -0.11 -0.03 0.00 0.30 0.00 0.00 27.48 27.77 2q8v h GLN 19 CO -0.04 0.32 0.26 0.52 -0.67 0.00 0.00 178.83 179.23 2q8v h MET 20 N 0.50 1.04 0.05 1.46 2.86 -1.78 -0.44 114.93 118.62 2q8v h MET 20 Ca 0.51 -0.19 -0.00 0.00 -2.06 0.00 0.00 59.70 57.96 2q8v h MET 20 Cb 0.86 -0.17 0.00 0.00 0.06 0.00 0.00 31.60 32.35 2q8v h MET 20 CO -0.45 0.86 -0.02 0.00 1.06 0.00 0.00 176.91 178.36 2q8v h ARG 21 N 1.02 -0.06 -0.13 1.72 2.47 -1.25 0.55 114.38 118.70 2q8v h ARG 21 Ca 0.23 0.00 0.05 0.00 -1.26 0.00 0.00 59.98 59.00 2q8v h ARG 21 Cb 0.22 0.01 -0.06 0.00 -1.65 0.00 0.00 29.97 28.49 2q8v h ARG 21 CO -0.02 0.12 -0.32 0.28 0.56 0.00 0.00 179.97 180.59 2q8v h VAL 22 N -0.23 0.29 -0.85 2.04 2.07 -1.16 -1.47 116.25 116.92 2q8v h VAL 22 Ca -0.01 0.00 0.14 0.00 0.82 0.00 0.00 66.70 67.65 2q8v h VAL 22 Cb 0.21 0.29 -0.09 0.00 -1.52 0.00 0.00 31.29 30.18 2q8v h VAL 22 CO 0.01 0.00 0.45 -0.03 0.02 0.00 0.00 177.57 178.02 2q8v h MET 23 N -0.40 0.63 -0.81 1.57 -1.53 -0.93 0.54 114.93 114.01 2q8v h MET 23 Ca 0.09 -0.04 -0.00 0.00 -3.44 0.00 0.00 59.70 56.31 2q8v h MET 23 Cb 0.55 -0.14 -0.04 0.00 -0.55 0.00 0.00 31.60 31.41 2q8v h MET 23 CO -0.35 0.42 0.49 0.93 0.14 0.00 0.00 176.91 178.54 2q8v h GLU 24 N 0.65 1.09 0.24 0.39 5.08 0.02 -0.59 114.58 121.45 2q8v h GLU 24 Ca 0.46 -0.09 -0.01 0.00 -1.00 0.00 0.00 59.36 58.71 2q8v h GLU 24 Cb 0.61 -0.23 0.00 0.00 0.50 0.00 0.00 28.75 29.63 2q8v h GLU 24 CO -0.34 0.76 -0.11 1.49 -1.00 0.00 0.00 179.01 179.80 2q8v h GLU 25 N 1.11 -0.31 -0.56 2.33 4.57 0.04 -2.59 114.58 119.17 2q8v h GLU 25 Ca 0.29 0.02 0.04 0.00 -1.18 0.00 0.00 59.36 58.53 2q8v h GLU 25 Cb -0.06 0.07 -0.04 0.00 -0.16 0.00 0.00 28.75 28.56 2q8v h GLU 25 CO -0.06 -0.05 0.31 1.96 -1.18 0.00 0.00 179.01 180.00 2q8v h GLN 26 N -0.53 0.59 -0.35 1.92 4.20 -1.05 -2.78 115.11 117.11 2q8v h GLN 26 Ca -0.03 -0.04 -0.04 0.00 0.06 0.00 0.00 58.65 58.61 2q8v h GLN 26 Cb 0.40 -0.13 -0.02 0.00 0.30 0.00 0.00 27.48 28.03 2q8v h GLN 26 CO 0.05 0.39 0.06 0.28 -0.67 0.00 0.00 178.83 178.94 2q8v h VAL 27 N 0.61 1.18 0.00 -0.54 2.07 -1.10 -1.77 116.25 116.69 2q8v h VAL 27 Ca 0.24 -0.64 0.00 0.00 0.82 0.00 0.00 66.70 67.12 2q8v h VAL 27 Cb 0.11 0.85 0.00 0.00 -1.52 0.00 0.00 31.29 30.72 2q8v h VAL 27 CO -0.14 0.23 0.00 -1.54 0.02 0.00 0.00 177.57 176.14 2q8v n SER 28 N -4.33 0.00 0.00 0.57 3.41 -0.98 -2.30 113.62 110.00 2q8v n SER 28 Ca 0.02 0.14 0.00 0.00 -0.26 0.00 0.00 58.87 58.77 2q8v n SER 28 Cb 0.20 -0.32 0.00 0.00 -0.26 0.00 0.00 64.21 63.83 2q8v n SER 28 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2q8v n ALA 29 N -1.32 2.05 -1.79 7.33 0.00 -0.69 -5.04 120.51 121.05 2q8v n ALA 29 Ca 0.06 -0.85 -0.35 0.00 0.00 0.00 0.00 53.44 52.30 2q8v n ALA 29 Cb 0.13 0.00 -0.05 0.00 0.00 0.00 0.00 19.45 19.53 2q8v n ALA 29 CO 0.00 0.00 0.00 -1.64 0.00 0.00 0.00 177.50 175.86 2q8v s MET 30 N -0.72 4.21 0.61 0.00 -1.94 -0.97 -5.07 119.30 115.42 2q8v s MET 30 Ca 0.00 1.35 -0.09 0.00 -1.71 0.00 0.00 55.69 55.24 2q8v s MET 30 Cb 0.00 -2.43 -0.02 0.00 2.01 0.00 0.00 34.83 34.40 2q8v s MET 30 CO 0.00 -0.07 0.98 -1.54 -0.01 0.00 0.00 175.02 174.38 2q8v s SER 31 N -1.80 5.90 0.22 3.03 1.04 -1.26 -4.85 113.70 115.98 2q8v s SER 31 Ca 0.59 1.13 -0.11 0.00 0.48 0.00 0.00 55.95 58.04 2q8v s SER 31 Cb -0.17 -2.15 0.30 0.00 0.10 0.00 0.00 66.02 64.11 2q8v s SER 31 CO 0.22 -0.98 1.64 0.25 0.98 0.00 0.00 173.24 175.34 2q8v h LEU 32 N -0.29 -0.41 -1.14 2.42 5.85 -1.98 0.59 115.31 120.34 2q8v h LEU 32 Ca -0.45 0.18 0.02 0.00 0.84 0.00 0.00 57.88 58.47 2q8v h LEU 32 Cb 1.22 0.33 -0.05 0.00 0.37 0.00 0.00 40.66 42.54 2q8v h LEU 32 CO 0.62 -0.17 0.59 -0.61 -0.34 0.00 0.00 178.44 178.53 2q8v h GLN 33 N 0.07 1.12 0.17 1.25 -0.00 -1.99 -0.10 115.11 115.63 2q8v h GLN 33 Ca 0.33 -0.07 -0.32 0.00 -0.00 0.00 0.00 58.65 58.60 2q8v h GLN 33 Cb 0.54 -0.25 0.01 0.00 0.00 0.00 0.00 27.48 27.78 2q8v h GLN 33 CO -0.61 0.74 -1.50 1.49 0.00 0.00 0.00 178.83 178.95 2q8v h GLU 34 N 1.16 0.36 -0.72 1.69 4.81 -1.64 -2.16 114.58 118.07 2q8v h GLU 34 Ca 0.34 -0.61 0.00 0.00 -0.13 0.00 0.00 59.36 58.96 2q8v h GLU 34 Cb -0.06 0.23 -0.04 0.00 0.63 0.00 0.00 28.75 29.51 2q8v h GLU 34 CO -0.09 1.26 0.47 0.00 -0.73 0.00 0.00 179.01 179.92 2q8v h ALA 35 N 0.35 0.92 -0.27 2.92 0.00 -0.71 -0.47 119.26 122.00 2q8v h ALA 35 Ca -0.24 -0.06 -0.02 0.00 0.00 0.00 0.00 54.91 54.58 2q8v h ALA 35 Cb 2.06 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 19.55 2q8v h ALA 35 CO 0.20 0.36 0.08 0.00 0.00 0.00 0.00 179.25 179.89 2q8v h ARG 36 N 0.98 0.43 0.09 0.00 3.08 -1.06 -1.07 114.38 116.83 2q8v h ARG 36 Ca 0.26 -0.10 -0.00 0.00 0.07 0.00 0.00 59.98 60.21 2q8v h ARG 36 Cb -0.09 -0.06 0.00 0.00 0.08 0.00 0.00 29.97 29.90 2q8v h ARG 36 CO -0.05 0.50 -0.04 0.93 -1.07 0.00 0.00 179.97 180.23 2q8v h GLU 37 N 0.28 -0.11 -0.61 0.04 5.08 -1.18 -1.69 114.58 116.39 2q8v h GLU 37 Ca 0.09 0.01 -0.04 0.00 -1.00 0.00 0.00 59.36 58.42 2q8v h GLU 37 Cb 0.25 0.03 -0.03 0.00 0.50 0.00 0.00 28.75 29.50 2q8v h GLU 37 CO -0.00 0.02 0.24 -0.07 -1.00 0.00 0.00 179.01 178.20 2q8v h LEU 38 N -0.22 0.84 -0.65 1.33 4.07 -1.12 -0.54 115.31 119.02 2q8v h LEU 38 Ca -0.01 -0.17 0.05 0.00 0.08 0.00 0.00 57.88 57.83 2q8v h LEU 38 Cb 0.19 -0.22 -0.05 0.00 1.08 0.00 0.00 40.66 41.66 2q8v h LEU 38 CO 0.02 0.79 0.36 0.25 -1.08 0.00 0.00 178.44 178.78 2q8v h LEU 39 N 0.85 0.55 -0.58 1.67 6.46 -1.16 0.29 115.31 123.39 2q8v h LEU 39 Ca 0.20 0.02 -0.08 0.00 -0.12 0.00 0.00 57.88 57.91 2q8v h LEU 39 Cb 0.21 -0.09 -0.02 0.00 -0.73 0.00 0.00 40.66 40.03 2q8v h LEU 39 CO -0.02 0.36 0.06 -0.07 -0.62 0.00 0.00 178.44 178.15 2q8v h LEU 40 N 0.68 0.96 -0.21 2.25 3.38 -0.63 -0.84 115.31 120.91 2q8v h LEU 40 Ca 0.28 -0.28 -0.00 0.00 0.09 0.00 0.00 57.88 57.97 2q8v h LEU 40 Cb 0.15 -0.26 -0.01 0.00 0.09 0.00 0.00 40.66 40.63 2q8v h LEU 40 CO -0.16 1.00 0.12 1.56 0.09 0.00 0.00 178.44 181.04 2q8v h GLN 41 N 0.89 0.28 -0.55 1.13 4.20 -0.26 -1.49 115.11 119.31 2q8v h GLN 41 Ca 0.17 -0.03 0.07 0.00 0.06 0.00 0.00 58.65 58.92 2q8v h GLN 41 Cb 0.47 -0.06 -0.06 0.00 0.30 0.00 0.00 27.48 28.14 2q8v h GLN 41 CO 0.02 0.25 0.22 0.00 -0.67 0.00 0.00 178.83 178.65 2q8v h ALA 42 N 1.02 0.69 -0.55 3.87 0.00 -0.20 0.20 119.26 124.28 2q8v h ALA 42 Ca 0.07 0.06 -0.01 0.00 0.00 0.00 0.00 54.91 55.03 2q8v h ALA 42 Cb 0.05 0.01 -0.03 0.00 0.00 0.00 0.00 17.79 17.82 2q8v h ALA 42 CO -0.01 -0.17 0.31 0.77 0.00 0.00 0.00 179.25 180.16 2q8v h SER 43 N 0.42 0.66 -0.30 0.00 0.02 -0.84 0.23 113.55 113.74 2q8v h SER 43 Ca 0.26 -0.04 -0.04 0.00 -0.84 0.00 0.00 61.79 61.13 2q8v h SER 43 Cb 0.27 -0.17 -0.01 0.00 0.14 0.00 0.00 62.40 62.63 2q8v h SER 43 CO -0.24 0.52 0.04 -0.09 -1.14 0.00 0.00 176.83 175.92 2q8v h ARG 44 N 0.76 0.51 -0.69 3.45 2.43 -0.21 -2.96 114.38 117.67 2q8v h ARG 44 Ca 0.20 -0.14 -0.04 0.00 -0.81 0.00 0.00 59.98 59.18 2q8v h ARG 44 Cb -0.00 -0.06 -0.03 0.00 -0.42 0.00 0.00 29.97 29.46 2q8v h ARG 44 CO -0.03 0.62 0.27 -0.07 -1.51 0.00 0.00 179.97 179.24 2q8v h LEU 45 N 0.33 0.95 -0.61 3.80 3.38 -0.10 -2.11 115.31 120.94 2q8v h LEU 45 Ca 0.09 -0.14 0.05 0.00 0.09 0.00 0.00 57.88 57.97 2q8v h LEU 45 Cb 0.36 -0.24 -0.05 0.00 0.09 0.00 0.00 40.66 40.82 2q8v h LEU 45 CO 0.01 0.85 0.33 -0.07 0.09 0.00 0.00 178.44 179.65 2q8v h LEU 46 N 1.00 0.48 -0.33 1.67 3.38 -0.54 0.15 115.31 121.12 2q8v h LEU 46 Ca 0.23 0.03 -0.06 0.00 0.09 0.00 0.00 57.88 58.17 2q8v h LEU 46 Cb 0.21 -0.06 -0.01 0.00 0.09 0.00 0.00 40.66 40.88 2q8v h LEU 46 CO -0.02 0.32 -0.01 0.24 0.09 0.00 0.00 178.44 179.06 2q8v h MET 47 N 0.62 0.60 -0.10 1.13 2.86 -1.36 0.70 114.93 119.37 2q8v h MET 47 Ca 0.27 -0.20 0.04 0.00 -2.06 0.00 0.00 59.70 57.75 2q8v h MET 47 Cb 0.17 -0.05 -0.05 0.00 0.06 0.00 0.00 31.60 31.73 2q8v h MET 47 CO -0.17 0.73 -0.19 0.52 1.06 0.00 0.00 176.91 178.86 2q8v h MET 48 N 0.39 -0.24 -0.77 1.72 2.86 -1.06 0.93 114.93 118.76 2q8v h MET 48 Ca 0.09 0.02 0.04 0.00 -2.06 0.00 0.00 59.70 57.79 2q8v h MET 48 Cb 0.47 0.05 -0.04 0.00 0.06 0.00 0.00 31.60 32.14 2q8v h MET 48 CO 0.02 -0.16 0.51 0.87 1.06 0.00 0.00 176.91 179.20 2q8v h LYS 49 N -0.25 0.90 -0.60 1.72 1.57 -0.65 -1.25 116.57 118.02 2q8v h LYS 49 Ca 0.09 -0.05 0.03 0.00 -1.87 0.00 0.00 60.65 58.84 2q8v h LYS 49 Cb 0.38 -0.20 -0.04 0.00 0.08 0.00 0.00 32.23 32.45 2q8v h LYS 49 CO -0.25 0.59 0.37 -0.44 -0.57 0.00 0.00 179.45 179.15 2q8v h ASP 50 N 0.92 0.59 -0.29 0.86 3.32 -0.23 -1.15 116.42 120.45 2q8v h ASP 50 Ca 0.31 0.00 0.01 0.00 0.02 0.00 0.00 57.03 57.37 2q8v h ASP 50 Cb 0.07 -0.12 -0.02 0.00 0.22 0.00 0.00 39.33 39.48 2q8v h ASP 50 CO -0.09 0.42 0.18 0.78 -1.72 0.00 0.00 179.24 178.80 2q8v h ASN 51 N 0.72 0.30 -0.26 6.45 2.35 0.18 -0.14 115.58 125.18 2q8v h ASN 51 Ca 0.24 -0.00 0.05 0.00 -0.55 0.00 0.00 56.30 56.04 2q8v h ASN 51 Cb 0.02 -0.07 -0.04 0.00 0.05 0.00 0.00 38.32 38.28 2q8v h ASN 51 CO -0.10 0.22 -0.02 0.58 -1.65 0.00 0.00 177.43 176.46 2q8v h VAL 52 N 0.37 0.79 -0.87 2.81 2.07 -1.11 -1.40 116.25 118.91 2q8v h VAL 52 Ca 0.11 -0.02 0.02 0.00 0.82 0.00 0.00 66.70 67.63 2q8v h VAL 52 Cb -0.02 0.73 -0.04 0.00 -1.52 0.00 0.00 31.29 30.44 2q8v h VAL 52 CO -0.04 0.01 0.57 0.40 0.02 0.00 0.00 177.57 178.53 2q8v h ILE 53 N 0.06 1.20 -0.61 4.57 1.08 -0.80 -0.73 117.51 122.27 2q8v h ILE 53 Ca 0.12 -0.39 -0.04 0.00 -0.39 0.00 0.00 64.86 64.16 2q8v h ILE 53 Cb 0.17 -0.05 -0.03 0.00 -3.07 0.00 0.00 36.82 33.85 2q8v h ILE 53 CO -0.23 0.21 0.20 -0.09 -0.69 0.00 0.00 178.15 177.55 2q8v h ARG 54 N 1.15 0.91 -0.09 2.37 2.43 -0.56 -1.98 114.38 118.61 2q8v h ARG 54 Ca 0.33 -0.17 -0.13 0.00 -0.81 0.00 0.00 59.98 59.20 2q8v h ARG 54 Cb -0.09 -0.15 0.01 0.00 -0.42 0.00 0.00 29.97 29.32 2q8v h ARG 54 CO -0.08 0.78 -0.44 0.77 -1.51 0.00 0.00 179.97 179.49 2q8v h SER 55 N 0.89 0.54 -0.94 -3.80 0.02 -0.15 -1.83 113.55 108.28 2q8v h SER 55 Ca 0.20 -0.64 -0.01 0.00 -0.84 0.00 0.00 61.79 60.50 2q8v h SER 55 Cb 0.24 -0.16 -0.05 0.00 0.14 0.00 0.00 62.40 62.57 2q8v h SER 55 CO -0.01 1.10 0.56 -0.07 -1.14 0.00 0.00 176.83 177.26 2q8v h LEU 56 N 0.02 1.14 -0.37 5.07 3.38 -1.10 -1.85 115.31 121.60 2q8v h LEU 56 Ca -0.03 -0.07 -0.07 0.00 0.09 0.00 0.00 57.88 57.80 2q8v h LEU 56 Cb 1.08 -0.29 -0.01 0.00 0.09 0.00 0.00 40.66 41.53 2q8v h LEU 56 CO 0.09 0.88 -0.05 0.58 0.09 0.00 0.00 178.44 180.03 2q8v h VAL 57 N 1.30 1.27 -0.91 1.22 2.07 -1.37 -3.06 116.25 116.77 2q8v h VAL 57 Ca 0.34 -1.09 0.06 0.00 0.82 0.00 0.00 66.70 66.83 2q8v h VAL 57 Cb -0.04 1.24 -0.06 0.00 -1.52 0.00 0.00 31.29 30.91 2q8v h VAL 57 CO -0.06 0.36 0.59 0.50 0.02 0.00 0.00 177.57 178.98 2q8v h LYS 58 N 0.48 1.03 -2.79 1.57 3.64 -0.69 -2.63 116.57 117.18 2q8v h LYS 58 Ca 0.10 -0.06 0.00 0.00 -1.27 0.00 0.00 60.65 59.42 2q8v h LYS 58 Cb 0.54 -0.23 0.00 0.00 -0.41 0.00 0.00 32.23 32.13 2q8v h LYS 58 CO 0.03 0.68 0.38 0.54 -2.27 0.00 0.00 179.45 178.81 2q8v n ARG 59 N -4.48 0.00 -2.28 1.90 5.12 -0.76 -4.50 116.66 111.67 2q8v n ARG 59 Ca 0.14 0.00 -0.40 0.00 -1.93 0.00 0.00 57.85 55.66 2q8v n ARG 59 Cb 0.18 -1.47 0.01 0.00 -1.16 0.00 0.00 32.46 30.02 2q8v n ARG 59 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 2q8v n ALA 60 N 2.75 6.42 -2.22 7.54 0.00 -0.99 -4.81 120.51 129.19 2q8v n ALA 60 Ca 0.00 -4.29 -0.43 0.00 0.00 0.00 0.00 53.44 48.73 2q8v n ALA 60 Cb 0.00 -2.40 0.00 0.00 0.00 0.00 0.00 19.45 17.05 2q8v n ALA 60 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2q8v n ALA 61 N 0.65 4.51 -1.31 0.00 0.00 -1.26 -5.21 120.51 117.87 2q8v n ALA 61 Ca 0.54 -3.90 0.00 0.00 0.00 0.00 0.00 53.44 50.08 2q8v n ALA 61 Cb 0.27 -3.53 0.00 0.00 0.00 0.00 0.00 19.45 16.19 2q8v n ALA 61 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04