#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2qbk s LYS 2 N 0.00 4.44 1.06 2.12 2.20 -1.26 -5.04 119.74 123.27 2qbk s LYS 2 Ca 0.00 1.34 -0.17 0.00 -0.36 0.00 0.00 55.97 56.78 2qbk s LYS 2 Cb 0.00 -3.52 0.23 0.00 -1.51 0.00 0.00 37.83 33.03 2qbk s LYS 2 CO 0.00 -0.24 1.18 1.03 -0.36 0.00 0.00 175.35 176.96 2qbk s ARG 3 N 1.74 -0.13 -1.06 4.03 1.81 -1.26 -4.98 118.95 119.11 2qbk s ARG 3 Ca 0.48 -0.09 -0.04 0.00 -1.72 0.00 0.00 55.73 54.36 2qbk s ARG 3 Cb -0.19 -1.73 0.31 0.00 -0.45 0.00 0.00 34.95 32.89 2qbk s ARG 3 CO 0.20 -2.98 1.46 -2.37 -0.68 0.00 0.00 175.30 170.92 2qbk n THR 4 N -4.24 5.22 0.00 0.02 5.66 -1.26 -4.77 114.28 114.92 2qbk n THR 4 Ca 0.12 -5.92 0.00 0.00 -3.05 0.00 0.00 64.05 55.21 2qbk n THR 4 Cb 0.59 -2.07 0.00 0.00 -1.55 0.00 0.00 70.33 67.30 2qbk n THR 4 CO 0.00 0.00 0.00 0.33 -3.05 0.00 0.00 175.07 172.35 2qbk n PHE 5 N 1.28 0.00 -3.48 1.09 -0.00 -1.26 -5.11 117.46 109.98 2qbk n PHE 5 Ca 0.26 0.00 -0.42 0.00 -0.00 0.00 0.00 57.45 57.29 2qbk n PHE 5 Cb 0.33 0.00 -0.07 0.00 -0.00 0.00 0.00 39.48 39.74 2qbk n PHE 5 CO 0.00 0.00 0.00 -0.65 -0.00 0.00 0.00 176.76 176.11 2qbk s GLN 6 N 0.00 2.68 0.29 -4.13 -1.52 -1.26 -5.06 119.66 110.65 2qbk s GLN 6 Ca 0.00 -1.81 -0.28 0.00 -1.95 0.00 0.00 55.36 51.32 2qbk s GLN 6 Cb 0.00 -4.05 -0.14 0.00 -0.22 0.00 0.00 33.01 28.60 2qbk s GLN 6 CO 0.00 -1.24 1.06 -0.35 -0.25 0.00 0.00 175.29 174.51 2qbk n PRO 7 N 4.92 1.45 -3.27 2.91 -0.04 -1.26 -5.01 135.00 134.70 2qbk n PRO 7 Ca -0.08 0.51 -0.07 0.00 -0.04 0.00 0.00 63.50 63.81 2qbk n PRO 7 Cb 0.41 -1.91 -0.04 0.00 -0.04 0.00 0.00 33.50 31.91 2qbk n PRO 7 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 2qbk s SER 8 N -0.48 -0.33 0.35 3.54 0.15 -1.26 -5.03 113.70 110.64 2qbk s SER 8 Ca 0.59 -1.19 0.16 0.00 0.70 0.00 0.00 55.95 56.22 2qbk s SER 8 Cb -0.69 1.33 1.20 0.00 -1.71 0.00 0.00 66.02 66.14 2qbk s SER 8 CO 0.60 -0.20 1.57 0.55 1.20 0.00 0.00 173.24 176.95 2qbk n VAL 9 N 4.28 -0.42 0.27 4.45 3.14 -1.26 -1.26 118.33 127.52 2qbk n VAL 9 Ca 0.12 2.07 -0.12 0.00 -2.96 0.00 0.00 64.34 63.44 2qbk n VAL 9 Cb 0.52 -3.27 -0.06 0.00 -1.06 0.00 0.00 33.84 29.97 2qbk n VAL 9 CO 0.00 0.00 0.00 0.25 -6.46 0.00 0.00 176.83 170.62 2qbk h LEU 10 N 0.00 -0.73 -0.02 6.55 6.46 -2.00 -2.81 115.31 122.76 2qbk h LEU 10 Ca 0.78 0.04 0.02 0.00 -0.12 0.00 0.00 57.88 58.61 2qbk h LEU 10 Cb 1.99 0.21 -0.06 0.00 -0.73 0.00 0.00 40.66 42.07 2qbk h LEU 10 CO -0.81 -0.45 -0.51 0.11 -0.62 0.00 0.00 178.44 176.15 2qbk h LYS 11 N -0.73 -0.62 -0.71 1.25 1.57 -1.56 -1.65 116.57 114.12 2qbk h LYS 11 Ca -0.07 0.04 0.06 0.00 -1.87 0.00 0.00 60.65 58.82 2qbk h LYS 11 Cb 0.58 0.14 -0.09 0.00 0.08 0.00 0.00 32.23 32.95 2qbk h LYS 11 CO 0.07 -0.41 -0.42 -2.13 -0.57 0.00 0.00 179.45 175.99 2qbk n ARG 12 N -5.46 -0.31 -0.12 3.15 0.63 -0.77 -0.43 116.66 113.35 2qbk n ARG 12 Ca -0.07 1.13 -0.08 0.00 -0.92 0.00 0.00 57.85 57.91 2qbk n ARG 12 Cb 0.39 -1.66 -0.00 0.00 0.45 0.00 0.00 32.46 31.64 2qbk n ARG 12 CO 0.00 0.00 0.00 -0.91 -2.51 0.00 0.00 177.63 174.21 2qbk h ASN 13 N 0.00 0.45 -0.16 6.15 -0.26 -1.21 0.13 115.58 120.69 2qbk h ASN 13 Ca 0.11 -0.03 -0.03 0.00 -0.56 0.00 0.00 56.30 55.80 2qbk h ASN 13 Cb 0.29 -0.11 -0.01 0.00 -1.06 0.00 0.00 38.32 37.42 2qbk h ASN 13 CO -0.67 0.35 0.03 -2.11 -1.06 0.00 0.00 177.43 173.97 2qbk n ARG 14 N -4.80 1.80 0.00 0.81 1.85 0.43 -0.06 116.66 116.68 2qbk n ARG 14 Ca 0.00 -0.74 0.00 0.00 -1.00 0.00 0.00 57.85 56.11 2qbk n ARG 14 Cb 0.04 -1.60 0.00 0.00 -1.05 0.00 0.00 32.46 29.85 2qbk n ARG 14 CO 0.00 0.00 0.00 0.43 -0.01 0.00 0.00 177.63 178.05 2qbk n SER 15 N 0.14 1.13 -0.45 2.89 7.64 0.32 -4.86 113.62 120.43 2qbk n SER 15 Ca 0.08 0.00 0.02 0.00 1.01 0.00 0.00 58.87 59.99 2qbk n SER 15 Cb 0.54 0.07 0.04 0.00 -1.01 0.00 0.00 64.21 63.84 2qbk n SER 15 CO 0.00 0.00 0.00 1.41 -3.01 0.00 0.00 175.04 173.44 2qbk n HIS 16 N -1.23 0.00 -2.49 1.43 8.25 0.41 -4.85 115.22 116.75 2qbk n HIS 16 Ca 0.00 -0.27 -0.31 0.00 -0.26 0.00 0.00 57.72 56.89 2qbk n HIS 16 Cb 0.12 -0.08 -0.02 0.00 1.12 0.00 0.00 29.99 31.13 2qbk n HIS 16 CO 0.00 0.00 0.00 0.20 0.64 0.00 0.00 176.34 177.18 2qbk s GLY 17 N -1.49 1.90 0.05 -1.41 0.00 0.91 -4.41 107.32 102.87 2qbk s GLY 17 Ca 0.09 -0.06 -0.14 0.00 0.00 0.00 0.00 44.72 44.61 2qbk s GLY 17 CO -0.00 0.17 1.23 -2.75 0.00 0.00 0.00 173.10 171.75 2qbk h PHE 18 N 0.76 -0.72 -0.36 1.90 3.04 -1.81 0.97 116.94 120.73 2qbk h PHE 18 Ca -0.46 0.03 0.06 0.00 3.98 0.00 0.00 57.97 61.58 2qbk h PHE 18 Cb 1.19 0.33 -0.08 0.00 2.56 0.00 0.00 35.95 39.95 2qbk h PHE 18 CO 0.63 -0.21 -0.48 0.00 -2.02 0.00 0.00 178.31 176.22 2qbk h ARG 19 N -0.18 -0.38 -0.41 1.11 3.08 -1.95 -0.41 114.38 115.25 2qbk h ARG 19 Ca 0.03 0.03 0.08 0.00 0.07 0.00 0.00 59.98 60.18 2qbk h ARG 19 Cb 0.26 0.09 -0.09 0.00 0.08 0.00 0.00 29.97 30.30 2qbk h ARG 19 CO -0.24 -0.25 -0.33 0.00 -1.07 0.00 0.00 179.97 178.08 2qbk h ALA 20 N 0.18 -0.19 -0.02 0.04 0.00 -1.70 -0.59 119.26 116.98 2qbk h ALA 20 Ca 0.10 0.10 -0.61 0.00 0.00 0.00 0.00 54.91 54.51 2qbk h ALA 20 Cb 0.60 0.72 0.01 0.00 0.00 0.00 0.00 17.79 19.13 2qbk h ALA 20 CO -0.55 -0.73 3.25 -2.13 0.00 0.00 0.00 179.25 179.09 2qbk n ARG 21 N -5.42 3.51 0.00 0.00 0.63 0.33 -2.13 116.66 113.59 2qbk n ARG 21 Ca 0.01 -2.09 0.00 0.00 -0.92 0.00 0.00 57.85 54.85 2qbk n ARG 21 Cb 0.34 -2.69 0.00 0.00 0.45 0.00 0.00 32.46 30.56 2qbk n ARG 21 CO 0.00 0.00 0.00 -1.33 -2.51 0.00 0.00 177.63 173.79 2qbk n MET 22 N 3.37 0.00 0.00 -0.14 2.81 -0.28 -4.20 117.12 118.67 2qbk n MET 22 Ca 0.74 0.00 0.05 0.00 -1.81 0.00 0.00 57.70 56.68 2qbk n MET 22 Cb 0.32 0.00 0.25 0.00 -0.71 0.00 0.00 33.22 33.08 2qbk n MET 22 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 2qbk n ALA 23 N -0.36 1.60 -2.45 3.04 0.00 -0.90 -4.62 120.51 116.81 2qbk n ALA 23 Ca 0.00 -0.05 -0.23 0.00 0.00 0.00 0.00 53.44 53.17 2qbk n ALA 23 Cb 0.00 -1.17 -0.10 0.00 0.00 0.00 0.00 19.45 18.18 2qbk n ALA 23 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.50 178.45 2qbk s THR 24 N -2.70 2.09 0.03 0.00 -4.23 -1.26 -5.03 115.64 104.54 2qbk s THR 24 Ca 0.08 -2.26 -0.30 0.00 -1.18 0.00 0.00 61.69 58.03 2qbk s THR 24 Cb 0.07 -2.36 -0.17 0.00 1.34 0.00 0.00 72.50 71.38 2qbk s THR 24 CO 0.17 -0.38 1.33 0.50 -0.54 0.00 0.00 174.62 175.70 2qbk h LYS 25 N 2.28 -0.92 0.00 3.99 1.63 -2.00 -2.79 116.57 118.75 2qbk h LYS 25 Ca -0.40 0.06 0.00 0.00 -0.85 0.00 0.00 60.65 59.46 2qbk h LYS 25 Cb 1.24 0.21 0.00 0.00 -0.60 0.00 0.00 32.23 33.08 2qbk h LYS 25 CO 0.64 -0.59 0.00 -0.91 -3.45 0.00 0.00 179.45 175.14 2qbk h ASN 26 N -1.14 0.00 -0.10 4.20 4.21 -1.96 -0.96 115.58 119.83 2qbk h ASN 26 Ca -0.10 0.00 -0.00 0.00 1.21 0.00 0.00 56.30 57.41 2qbk h ASN 26 Cb 0.76 0.00 -0.00 0.00 -1.12 0.00 0.00 38.32 37.96 2qbk h ASN 26 CO 0.16 0.00 0.05 1.23 -1.29 0.00 0.00 177.43 177.58 2qbk h GLY 27 N 2.12 0.16 2.00 2.83 0.00 -1.83 -0.67 103.07 107.67 2qbk h GLY 27 Ca 0.00 -0.08 -0.16 0.00 0.00 0.00 0.00 47.33 47.09 2qbk h GLY 27 CO 0.00 0.08 -0.76 3.21 0.00 0.00 0.00 176.54 179.07 2qbk h ARG 28 N 0.03 0.00 0.00 4.80 3.08 -1.31 -2.61 114.38 118.37 2qbk h ARG 28 Ca 0.03 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.08 2qbk h ARG 28 Cb 0.13 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.18 2qbk h ARG 28 CO -0.00 0.76 0.00 0.94 -1.07 0.00 0.00 179.97 180.59 2qbk n GLN 29 N -3.30 0.49 -0.11 0.04 7.27 -0.38 -1.40 117.38 119.98 2qbk n GLN 29 Ca 0.01 0.00 -0.18 0.00 0.07 0.00 0.00 57.00 56.90 2qbk n GLN 29 Cb 0.84 -1.50 -0.06 0.00 2.41 0.00 0.00 30.24 31.93 2qbk n GLN 29 CO 0.00 0.00 0.00 0.28 0.07 0.00 0.00 177.06 177.41 2qbk n VAL 30 N -1.00 1.51 -0.26 1.69 0.31 -0.29 -3.93 118.33 116.37 2qbk n VAL 30 Ca 0.12 -0.08 0.01 0.00 -0.01 0.00 0.00 64.34 64.37 2qbk n VAL 30 Cb 0.05 -2.15 0.14 0.00 -0.91 0.00 0.00 33.84 30.97 2qbk n VAL 30 CO 0.00 0.00 0.00 -0.07 -1.32 0.00 0.00 176.83 175.44 2qbk h LEU 31 N -1.00 0.55 -2.10 7.52 3.38 -1.39 0.47 115.31 122.74 2qbk h LEU 31 Ca -0.30 0.05 0.01 0.00 0.09 0.00 0.00 57.88 57.73 2qbk h LEU 31 Cb 1.26 -0.05 -0.00 0.00 0.09 0.00 0.00 40.66 41.96 2qbk h LEU 31 CO -0.18 0.33 0.02 0.00 0.09 0.00 0.00 178.44 178.69 2qbk h ALA 32 N 1.42 1.92 0.00 1.53 0.00 -1.46 1.57 119.26 124.23 2qbk h ALA 32 Ca 0.35 -0.00 -0.13 0.00 0.00 0.00 0.00 54.91 55.13 2qbk h ALA 32 Cb 0.32 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 18.09 2qbk h ALA 32 CO -0.24 -0.03 -0.63 -0.09 0.00 0.00 0.00 179.25 178.25 2qbk h ARG 33 N 0.00 0.00 0.13 0.00 2.43 -0.26 -1.37 114.38 115.31 2qbk h ARG 33 Ca 0.01 0.00 -0.33 0.00 -0.81 0.00 0.00 59.98 58.85 2qbk h ARG 33 Cb 0.05 0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 29.59 2qbk h ARG 33 CO -0.00 0.63 -1.74 0.00 -1.51 0.00 0.00 179.97 177.35 2qbk h ARG 34 N 0.00 0.27 -0.48 0.20 3.08 0.11 -3.07 114.38 114.49 2qbk h ARG 34 Ca -0.01 -0.46 -0.01 0.00 0.07 0.00 0.00 59.98 59.57 2qbk h ARG 34 Cb 1.21 0.17 -0.02 0.00 0.08 0.00 0.00 29.97 31.41 2qbk h ARG 34 CO 0.08 1.14 0.26 0.00 -1.07 0.00 0.00 179.97 180.38 2qbk h ARG 35 N 0.07 0.67 0.06 0.04 3.08 0.21 0.21 114.38 118.71 2qbk h ARG 35 Ca -0.33 -0.08 0.01 0.00 0.07 0.00 0.00 59.98 59.66 2qbk h ARG 35 Cb 2.05 -0.13 -0.02 0.00 0.08 0.00 0.00 29.97 31.95 2qbk h ARG 35 CO 0.14 0.52 -0.13 0.00 -1.07 0.00 0.00 179.97 179.43 2qbk h ALA 36 N 1.11 -0.20 0.00 0.04 0.00 -1.37 0.32 119.26 119.16 2qbk h ALA 36 Ca 0.17 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.07 2qbk h ALA 36 Cb 0.05 0.21 0.00 0.00 0.00 0.00 0.00 17.79 18.05 2qbk h ALA 36 CO -0.03 -0.64 0.00 1.17 0.00 0.00 0.00 179.25 179.75 2qbk n LYS 37 N -5.26 0.03 -3.10 0.00 4.81 -0.94 -4.89 118.16 108.81 2qbk n LYS 37 Ca -0.06 0.34 -0.06 0.00 -0.87 0.00 0.00 58.31 57.66 2qbk n LYS 37 Cb 0.18 -1.50 0.00 0.00 0.02 0.00 0.00 35.03 33.73 2qbk n LYS 37 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 2qbk n GLY 38 N -0.79 -1.21 3.89 3.14 0.00 0.11 -5.00 105.19 105.33 2qbk n GLY 38 Ca 0.02 0.70 -0.32 0.00 0.00 0.00 0.00 46.02 46.42 2qbk n GLY 38 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 2qbk s ARG 39 N -3.09 3.64 -0.08 1.61 6.06 -0.87 -5.01 118.95 121.20 2qbk s ARG 39 Ca 0.07 -0.05 -0.19 0.00 -2.50 0.00 0.00 55.73 53.06 2qbk s ARG 39 Cb -0.02 -2.86 -0.16 0.00 0.06 0.00 0.00 34.95 31.98 2qbk s ARG 39 CO 0.77 0.47 0.69 0.00 -2.50 0.00 0.00 175.30 174.74 2qbk h ALA 40 N 2.91 -0.11 -1.80 6.12 0.00 -1.94 -3.40 119.26 121.03 2qbk h ALA 40 Ca -0.46 -0.26 -0.67 0.00 0.00 0.00 0.00 54.91 53.52 2qbk h ALA 40 Cb 1.17 0.04 -0.17 0.00 0.00 0.00 0.00 17.79 18.83 2qbk h ALA 40 CO 0.72 -0.16 0.36 1.03 0.00 0.00 0.00 179.25 181.20 2qbk s ARG 41 N -2.77 3.12 0.10 0.00 0.52 -1.26 -4.94 118.95 113.72 2qbk s ARG 41 Ca -0.12 -1.13 -0.28 0.00 -0.52 0.00 0.00 55.73 53.68 2qbk s ARG 41 Cb -0.01 -4.29 -0.11 0.00 0.52 0.00 0.00 34.95 31.06 2qbk s ARG 41 CO 0.45 -1.69 1.65 1.25 0.02 0.00 0.00 175.30 176.98 2qbk h LEU 42 N 10.63 -0.66 -5.70 2.53 7.12 -1.99 -3.43 115.31 123.81 2qbk h LEU 42 Ca -0.26 0.06 0.03 0.00 0.13 0.00 0.00 57.88 57.84 2qbk h LEU 42 Cb 1.07 0.23 -0.19 0.00 -0.53 0.00 0.00 40.66 41.25 2qbk h LEU 42 CO 1.14 -0.35 -0.30 0.42 -0.13 0.00 0.00 178.44 179.22 2qbk s THR 43 N -6.08 -0.67 -0.79 1.05 -4.23 -1.26 -4.97 115.64 98.69 2qbk s THR 43 Ca -0.16 0.00 -0.15 0.00 -1.18 0.00 0.00 61.69 60.21 2qbk s THR 43 Cb 0.07 -0.07 0.02 0.00 1.34 0.00 0.00 72.50 73.86 2qbk s THR 43 CO 0.65 0.00 0.49 0.52 -0.54 0.00 0.00 174.62 175.74 2qbk n VAL 44 N 4.23 -2.21 0.00 2.29 0.31 -1.26 -4.01 118.33 117.68 2qbk n VAL 44 Ca 0.09 -0.24 0.00 0.00 -0.01 0.00 0.00 64.34 64.17 2qbk n VAL 44 Cb 0.59 -1.93 0.00 0.00 -0.91 0.00 0.00 33.84 31.60 2qbk n VAL 44 CO 0.00 0.00 0.00 -1.54 -1.32 0.00 0.00 176.83 173.97 2qbk n SER 45 N -1.64 0.00 0.00 4.52 3.41 -1.26 -4.81 113.62 113.83 2qbk n SER 45 Ca -0.16 0.67 0.00 0.00 -0.26 0.00 0.00 58.87 59.12 2qbk n SER 45 Cb 0.48 -0.17 0.00 0.00 -0.26 0.00 0.00 64.21 64.26 2qbk n SER 45 CO 0.00 0.00 0.00 1.17 -0.16 0.00 0.00 175.04 176.05