#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2qba s LYS 2 N 0.00 4.27 0.94 2.12 2.20 -1.26 -5.02 119.74 122.99 2qba s LYS 2 Ca 0.00 1.36 -0.12 0.00 -0.36 0.00 0.00 55.97 56.85 2qba s LYS 2 Cb 0.00 -3.63 0.15 0.00 -1.51 0.00 0.00 37.83 32.84 2qba s LYS 2 CO 0.00 -0.60 1.09 1.03 -0.36 0.00 0.00 175.35 176.51 2qba s ARG 3 N 3.08 0.93 -1.20 4.03 1.81 -1.26 -4.94 118.95 121.40 2qba s ARG 3 Ca 0.44 0.82 -0.06 0.00 -1.72 0.00 0.00 55.73 55.21 2qba s ARG 3 Cb -0.15 -1.77 0.22 0.00 -0.45 0.00 0.00 34.95 32.79 2qba s ARG 3 CO 0.07 -2.47 1.90 -2.37 -0.68 0.00 0.00 175.30 171.75 2qba n THR 4 N -4.04 5.13 -2.70 0.02 5.66 -1.26 -4.70 114.28 112.39 2qba n THR 4 Ca 0.07 -5.04 0.00 0.00 -3.05 0.00 0.00 64.05 56.03 2qba n THR 4 Cb 0.55 -2.08 0.02 0.00 -1.55 0.00 0.00 70.33 67.27 2qba n THR 4 CO 0.00 0.00 0.00 0.12 -3.05 0.00 0.00 175.07 172.14 2qba s PHE 5 N -1.60 -0.23 -0.64 1.09 5.99 -1.26 -5.10 117.98 116.22 2qba s PHE 5 Ca 0.41 -0.00 -0.13 0.00 0.00 0.00 0.00 56.93 57.20 2qba s PHE 5 Cb 0.12 0.04 0.16 0.00 0.00 0.00 0.00 43.02 43.35 2qba s PHE 5 CO -0.02 -0.16 0.57 -0.65 -0.00 0.00 0.00 175.22 174.96 2qba s GLN 6 N 1.63 3.10 0.27 10.12 -1.52 -1.26 -5.05 119.66 126.95 2qba s GLN 6 Ca 0.17 -2.04 -0.29 0.00 -1.95 0.00 0.00 55.36 51.25 2qba s GLN 6 Cb 0.07 -4.25 -0.14 0.00 -0.22 0.00 0.00 33.01 28.47 2qba s GLN 6 CO -0.14 -1.28 1.10 -0.35 -0.25 0.00 0.00 175.29 174.36 2qba n PRO 7 N 4.62 1.47 -3.28 2.91 -0.04 -1.26 -5.01 135.00 134.41 2qba n PRO 7 Ca -0.02 0.52 -0.06 0.00 -0.04 0.00 0.00 63.50 63.90 2qba n PRO 7 Cb 0.42 -1.95 -0.05 0.00 -0.04 0.00 0.00 33.50 31.88 2qba n PRO 7 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 2qba s SER 8 N -0.38 -0.10 0.45 3.54 0.15 -1.26 -5.03 113.70 111.08 2qba s SER 8 Ca 0.61 -0.07 0.22 0.00 0.70 0.00 0.00 55.95 57.41 2qba s SER 8 Cb -0.70 1.34 1.22 0.00 -1.71 0.00 0.00 66.02 66.17 2qba s SER 8 CO 0.58 -0.33 1.85 1.62 1.20 0.00 0.00 173.24 178.16 2qba h VAL 9 N 6.13 0.61 0.08 4.45 3.04 -1.99 -1.32 116.25 127.24 2qba h VAL 9 Ca -0.11 -0.09 -0.00 0.00 -1.01 0.00 0.00 66.70 65.49 2qba h VAL 9 Cb 1.14 0.31 0.00 0.00 -2.01 0.00 0.00 31.29 30.73 2qba h VAL 9 CO 0.25 0.05 -0.04 0.25 -1.01 0.00 0.00 177.57 177.07 2qba h LEU 10 N 0.27 -0.09 -0.70 3.16 6.46 -2.00 -2.91 115.31 119.50 2qba h LEU 10 Ca 0.48 0.00 0.13 0.00 -0.12 0.00 0.00 57.88 58.37 2qba h LEU 10 Cb 1.42 0.02 -0.13 0.00 -0.73 0.00 0.00 40.66 41.25 2qba h LEU 10 CO -0.14 -0.02 -0.30 0.11 -0.62 0.00 0.00 178.44 177.47 2qba h LYS 11 N -0.21 -0.09 -0.40 1.25 1.57 -1.93 -1.22 116.57 115.54 2qba h LYS 11 Ca -0.01 0.01 0.06 0.00 -1.87 0.00 0.00 60.65 58.84 2qba h LYS 11 Cb 0.09 0.02 -0.09 0.00 0.08 0.00 0.00 32.23 32.33 2qba h LYS 11 CO 0.02 -0.06 -0.47 -0.09 -0.57 0.00 0.00 179.45 178.28 2qba h ARG 12 N -0.09 -0.34 -0.42 3.15 2.43 -1.37 0.21 114.38 117.95 2qba h ARG 12 Ca 0.29 0.02 0.07 0.00 -0.81 0.00 0.00 59.98 59.55 2qba h ARG 12 Cb 0.56 0.08 -0.06 0.00 -0.42 0.00 0.00 29.97 30.13 2qba h ARG 12 CO -0.76 -0.23 0.08 -0.91 -1.51 0.00 0.00 179.97 176.65 2qba h ASN 13 N -0.35 0.01 -0.02 -3.80 -0.26 -1.04 0.32 115.58 110.44 2qba h ASN 13 Ca 0.12 0.07 0.00 0.00 -0.56 0.00 0.00 56.30 55.93 2qba h ASN 13 Cb 0.59 0.09 0.00 0.00 -1.06 0.00 0.00 38.32 37.95 2qba h ASN 13 CO -0.58 0.04 0.00 -2.11 -1.06 0.00 0.00 177.43 173.72 2qba n ARG 14 N -5.10 1.12 -0.07 0.81 1.85 -0.75 -0.03 116.66 114.50 2qba n ARG 14 Ca 0.03 -0.18 -0.09 0.00 -1.00 0.00 0.00 57.85 56.61 2qba n ARG 14 Cb 0.19 -1.39 -0.07 0.00 -1.05 0.00 0.00 32.46 30.14 2qba n ARG 14 CO 0.00 0.00 0.00 0.43 -0.01 0.00 0.00 177.63 178.05 2qba n SER 15 N -0.68 2.71 -2.64 2.89 7.64 0.68 -4.75 113.62 119.47 2qba n SER 15 Ca 0.18 -0.06 -0.02 0.00 1.01 0.00 0.00 58.87 59.98 2qba n SER 15 Cb 0.13 0.00 0.05 0.00 -1.01 0.00 0.00 64.21 63.38 2qba n SER 15 CO 0.00 0.00 0.00 1.41 -3.01 0.00 0.00 175.04 173.44 2qba n HIS 16 N -2.81 1.32 -2.93 1.43 8.25 0.99 -4.97 115.22 116.51 2qba n HIS 16 Ca -0.24 -2.03 -0.22 0.00 -0.26 0.00 0.00 57.72 54.97 2qba n HIS 16 Cb 0.80 -0.24 0.02 0.00 1.12 0.00 0.00 29.99 31.69 2qba n HIS 16 CO 0.00 0.00 0.00 0.20 0.64 0.00 0.00 176.34 177.18 2qba s GLY 17 N -3.66 1.64 0.07 -1.41 0.00 0.96 -4.26 107.32 100.67 2qba s GLY 17 Ca 0.30 -1.16 -0.37 0.00 0.00 0.00 0.00 44.72 43.49 2qba s GLY 17 CO -0.04 -0.97 1.56 -2.75 0.00 0.00 0.00 173.10 170.90 2qba h PHE 18 N 0.35 -1.31 -0.63 1.90 3.04 -1.81 0.19 116.94 118.67 2qba h PHE 18 Ca -0.45 -0.02 0.10 0.00 3.98 0.00 0.00 57.97 61.58 2qba h PHE 18 Cb 1.26 0.46 -0.04 0.00 2.56 0.00 0.00 35.95 40.20 2qba h PHE 18 CO 0.43 -0.75 0.42 0.00 -2.02 0.00 0.00 178.31 176.40 2qba h ARG 19 N -1.24 0.44 -0.75 1.11 3.08 -1.91 0.83 114.38 115.95 2qba h ARG 19 Ca -0.11 -0.03 -0.06 0.00 0.07 0.00 0.00 59.98 59.85 2qba h ARG 19 Cb 0.98 -0.10 -0.03 0.00 0.08 0.00 0.00 29.97 30.90 2qba h ARG 19 CO 0.12 0.29 0.23 0.00 -1.07 0.00 0.00 179.97 179.55 2qba h ALA 20 N 1.68 0.99 -0.06 0.04 0.00 -1.72 -2.81 119.26 117.38 2qba h ALA 20 Ca 0.29 -0.23 -0.06 0.00 0.00 0.00 0.00 54.91 54.91 2qba h ALA 20 Cb 0.54 -0.29 0.00 0.00 0.00 0.00 0.00 17.79 18.04 2qba h ALA 20 CO -0.09 0.67 -0.21 0.00 0.00 0.00 0.00 179.25 179.62 2qba h ARG 21 N 1.11 0.26 -2.14 0.00 -0.00 0.25 -3.17 114.38 110.69 2qba h ARG 21 Ca 0.24 -0.19 -0.06 0.00 -0.50 0.00 0.00 59.98 59.47 2qba h ARG 21 Cb 0.31 0.03 -0.02 0.00 0.00 0.00 0.00 29.97 30.29 2qba h ARG 21 CO -0.01 0.81 -0.05 -1.33 0.00 0.00 0.00 179.97 179.40 2qba n MET 22 N -4.54 1.01 0.00 0.04 2.81 0.26 -2.04 117.12 114.66 2qba n MET 22 Ca -0.08 -0.31 0.00 0.00 -1.81 0.00 0.00 57.70 55.49 2qba n MET 22 Cb 0.43 -1.47 0.00 0.00 -0.71 0.00 0.00 33.22 31.47 2qba n MET 22 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 2qba n ALA 23 N 2.11 0.88 -2.29 3.04 0.00 -1.15 -4.89 120.51 118.22 2qba n ALA 23 Ca 0.14 0.00 -0.16 0.00 0.00 0.00 0.00 53.44 53.42 2qba n ALA 23 Cb 0.48 0.00 -0.10 0.00 0.00 0.00 0.00 19.45 19.83 2qba n ALA 23 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.50 178.45 2qba s THR 24 N -0.88 1.16 0.05 0.00 -4.23 -1.12 -5.02 115.64 105.60 2qba s THR 24 Ca 0.00 -2.06 -0.21 0.00 -1.18 0.00 0.00 61.69 58.24 2qba s THR 24 Cb 0.00 -2.07 -0.10 0.00 1.34 0.00 0.00 72.50 71.67 2qba s THR 24 CO 0.00 -0.56 1.33 0.50 -0.54 0.00 0.00 174.62 175.35 2qba h LYS 25 N 2.63 -0.57 0.00 3.99 1.63 -1.99 -0.72 116.57 121.54 2qba h LYS 25 Ca -0.37 0.04 0.00 0.00 -0.85 0.00 0.00 60.65 59.47 2qba h LYS 25 Cb 1.21 0.13 0.00 0.00 -0.60 0.00 0.00 32.23 32.97 2qba h LYS 25 CO 0.64 -0.38 0.00 0.09 -3.45 0.00 0.00 179.45 176.35 2qba n ASN 26 N -4.17 0.40 0.13 4.20 4.13 -1.26 -0.93 115.26 117.75 2qba n ASN 26 Ca -0.07 0.63 -0.09 0.00 1.68 0.00 0.00 54.58 56.73 2qba n ASN 26 Cb 0.27 -0.70 -0.05 0.00 -1.54 0.00 0.00 39.78 37.76 2qba n ASN 26 CO 0.00 0.00 0.00 1.23 0.28 0.00 0.00 177.26 178.77 2qba h GLY 27 N 1.39 -0.42 2.00 7.41 0.00 -1.43 -2.58 103.07 109.43 2qba h GLY 27 Ca 0.00 0.16 0.00 0.00 0.00 0.00 0.00 47.33 47.49 2qba h GLY 27 CO 0.00 -0.15 0.00 3.21 0.00 0.00 0.00 176.54 179.60 2qba h ARG 28 N -1.04 0.00 0.00 4.80 3.08 -0.57 0.16 114.38 120.80 2qba h ARG 28 Ca -0.04 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.01 2qba h ARG 28 Cb 0.43 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.48 2qba h ARG 28 CO 0.07 0.00 0.00 0.94 -1.07 0.00 0.00 179.97 179.91 2qba n GLN 29 N -2.83 0.26 -0.08 0.04 7.27 -0.11 -2.41 117.38 119.52 2qba n GLN 29 Ca 0.01 0.06 -0.08 0.00 0.07 0.00 0.00 57.00 57.06 2qba n GLN 29 Cb 0.29 -1.50 -0.04 0.00 2.41 0.00 0.00 30.24 31.41 2qba n GLN 29 CO 0.00 0.00 0.00 0.28 0.07 0.00 0.00 177.06 177.41 2qba n VAL 30 N -1.34 1.45 -0.24 1.69 0.31 0.03 -3.32 118.33 116.90 2qba n VAL 30 Ca 0.10 0.16 0.22 0.00 -0.01 0.00 0.00 64.34 64.81 2qba n VAL 30 Cb 0.22 -2.32 0.56 0.00 -0.91 0.00 0.00 33.84 31.39 2qba n VAL 30 CO 0.00 0.00 0.00 -0.07 -1.32 0.00 0.00 176.83 175.44 2qba h LEU 31 N -1.00 0.32 -0.32 7.52 3.38 -1.54 0.48 115.31 124.15 2qba h LEU 31 Ca -0.08 0.04 -0.05 0.00 0.09 0.00 0.00 57.88 57.88 2qba h LEU 31 Cb 0.70 -0.02 -0.01 0.00 0.09 0.00 0.00 40.66 41.43 2qba h LEU 31 CO -0.05 0.11 -0.01 0.00 0.09 0.00 0.00 178.44 178.59 2qba h ALA 32 N 1.59 0.43 -0.47 1.53 0.00 -1.64 1.01 119.26 121.72 2qba h ALA 32 Ca 0.48 -0.24 -0.00 0.00 0.00 0.00 0.00 54.91 55.15 2qba h ALA 32 Cb 1.37 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 19.02 2qba h ALA 32 CO -0.16 0.19 0.29 0.00 0.00 0.00 0.00 179.25 179.57 2qba h ARG 33 N 0.37 0.64 -0.24 0.00 3.08 -0.17 0.59 114.38 118.65 2qba h ARG 33 Ca 0.09 -0.06 -0.08 0.00 0.07 0.00 0.00 59.98 60.01 2qba h ARG 33 Cb 0.45 -0.13 -0.01 0.00 0.08 0.00 0.00 29.97 30.36 2qba h ARG 33 CO 0.02 0.46 -0.14 0.00 -1.07 0.00 0.00 179.97 179.24 2qba h ARG 34 N 0.63 0.52 -0.67 0.04 3.08 -0.68 -1.69 114.38 115.61 2qba h ARG 34 Ca 0.17 -0.24 0.03 0.00 0.07 0.00 0.00 59.98 60.01 2qba h ARG 34 Cb -0.02 -0.01 -0.04 0.00 0.08 0.00 0.00 29.97 29.98 2qba h ARG 34 CO -0.03 0.80 0.42 0.00 -1.07 0.00 0.00 179.97 180.09 2qba h ARG 35 N 0.24 0.79 0.49 0.04 3.08 0.14 0.14 114.38 119.30 2qba h ARG 35 Ca 0.05 -0.05 -0.01 0.00 0.07 0.00 0.00 59.98 60.04 2qba h ARG 35 Cb 0.66 -0.18 -0.02 0.00 0.08 0.00 0.00 29.97 30.51 2qba h ARG 35 CO 0.04 0.52 -0.44 0.00 -1.07 0.00 0.00 179.97 179.03 2qba h ALA 36 N 1.29 -1.00 0.00 0.04 0.00 0.32 0.26 119.26 120.17 2qba h ALA 36 Ca 0.27 -0.17 0.00 0.00 0.00 0.00 0.00 54.91 55.01 2qba h ALA 36 Cb 0.03 0.61 0.00 0.00 0.00 0.00 0.00 17.79 18.43 2qba h ALA 36 CO -0.11 -1.10 0.04 1.17 0.00 0.00 0.00 179.25 179.25 2qba n LYS 37 N -5.53 0.04 -3.10 0.00 4.81 -0.65 -4.84 118.16 108.90 2qba n LYS 37 Ca -0.12 0.52 -0.13 0.00 -0.87 0.00 0.00 58.31 57.71 2qba n LYS 37 Cb 0.43 -1.68 0.06 0.00 0.02 0.00 0.00 35.03 33.86 2qba n LYS 37 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 2qba n GLY 38 N -1.41 -1.00 3.84 3.14 0.00 0.90 -5.00 105.19 105.67 2qba n GLY 38 Ca -0.00 0.51 -0.32 0.00 0.00 0.00 0.00 46.02 46.21 2qba n GLY 38 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 2qba s ARG 39 N -4.24 3.88 -0.04 1.61 6.06 -0.77 -5.01 118.95 120.44 2qba s ARG 39 Ca 0.41 0.97 -0.13 0.00 -2.50 0.00 0.00 55.73 54.48 2qba s ARG 39 Cb -0.05 -2.12 -0.07 0.00 0.06 0.00 0.00 34.95 32.76 2qba s ARG 39 CO 0.68 -0.33 0.55 0.00 -2.50 0.00 0.00 175.30 173.69 2qba h ALA 40 N 0.82 -0.48 -2.46 6.12 0.00 -1.94 -3.42 119.26 117.92 2qba h ALA 40 Ca -0.47 -0.10 -0.68 0.00 0.00 0.00 0.00 54.91 53.66 2qba h ALA 40 Cb 1.19 0.18 -0.18 0.00 0.00 0.00 0.00 17.79 18.98 2qba h ALA 40 CO 0.61 -0.44 -0.24 1.03 0.00 0.00 0.00 179.25 180.21 2qba s ARG 41 N -3.08 3.26 0.04 0.00 0.52 -1.26 -4.99 118.95 113.44 2qba s ARG 41 Ca -0.07 -0.64 -0.32 0.00 -0.52 0.00 0.00 55.73 54.17 2qba s ARG 41 Cb 0.01 -3.91 -0.18 0.00 0.52 0.00 0.00 34.95 31.39 2qba s ARG 41 CO 0.21 -0.73 1.42 1.25 0.02 0.00 0.00 175.30 177.46 2qba h LEU 42 N 8.94 -0.99 -6.07 2.53 7.12 -1.98 -3.45 115.31 121.40 2qba h LEU 42 Ca -0.28 0.03 0.03 0.00 0.13 0.00 0.00 57.88 57.80 2qba h LEU 42 Cb 1.12 0.26 -0.22 0.00 -0.53 0.00 0.00 40.66 41.28 2qba h LEU 42 CO 0.76 -0.68 -0.34 0.42 -0.13 0.00 0.00 178.44 178.47 2qba s THR 43 N -5.45 -0.93 -0.18 1.05 -4.23 -1.26 -4.97 115.64 99.67 2qba s THR 43 Ca -0.17 -0.03 -0.12 0.00 -1.18 0.00 0.00 61.69 60.20 2qba s THR 43 Cb 0.02 -0.98 0.02 0.00 1.34 0.00 0.00 72.50 72.90 2qba s THR 43 CO 0.51 -0.03 0.23 0.52 -0.54 0.00 0.00 174.62 175.31 2qba n VAL 44 N 5.42 -1.32 0.00 2.29 0.31 -1.26 -4.32 118.33 119.45 2qba n VAL 44 Ca 0.00 0.02 0.00 0.00 -0.01 0.00 0.00 64.34 64.35 2qba n VAL 44 Cb 0.52 -1.20 0.00 0.00 -0.91 0.00 0.00 33.84 32.25 2qba n VAL 44 CO 0.00 0.00 0.00 -1.54 -1.32 0.00 0.00 176.83 173.97 2qba n SER 45 N 0.38 0.00 0.00 4.52 3.41 -1.26 -4.77 113.62 115.89 2qba n SER 45 Ca -0.05 0.28 0.00 0.00 -0.26 0.00 0.00 58.87 58.85 2qba n SER 45 Cb 0.24 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.19 2qba n SER 45 CO 0.00 0.00 0.00 1.17 -0.16 0.00 0.00 175.04 176.05