#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2kby n GLU 2 N 0.00 0.00 0.00 -1.24 0.28 -1.26 -5.13 120.64 113.29 2kby n GLU 2 Ca 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 57.16 57.00 2kby n GLU 2 Cb 0.00 0.00 0.00 0.00 1.43 0.00 0.00 31.44 32.87 2kby n GLU 2 CO 0.00 0.00 0.00 -0.25 -0.16 0.00 0.00 177.13 176.72 2kby n ASP 3 N 0.00 0.00 -4.77 -1.84 9.92 -1.26 -4.98 116.55 113.62 2kby n ASP 3 Ca 0.00 0.00 -0.39 0.00 -0.53 0.00 0.00 54.79 53.87 2kby n ASP 3 Cb 0.31 0.00 -0.03 0.00 -0.64 0.00 0.00 41.12 40.76 2kby n ASP 3 CO 0.00 0.00 0.00 -0.89 0.13 0.00 0.00 177.20 176.44 2kby s THR 4 N 0.14 3.42 0.28 -3.53 2.01 -1.26 -5.04 115.64 111.66 2kby s THR 4 Ca 0.00 1.27 0.06 0.00 0.31 0.00 0.00 61.69 63.33 2kby s THR 4 Cb 0.00 -3.75 -0.06 0.00 0.01 0.00 0.00 72.50 68.70 2kby s THR 4 CO 0.00 0.19 -0.04 -0.31 -0.69 0.00 0.00 174.62 173.77 2kby s TYR 5 N -1.36 1.92 -0.16 4.92 2.02 -1.26 -5.14 117.35 118.30 2kby s TYR 5 Ca 0.51 -0.75 -0.01 0.00 -0.37 0.00 0.00 57.07 56.46 2kby s TYR 5 Cb -0.29 -1.13 -0.01 0.00 -0.40 0.00 0.00 41.96 40.13 2kby s TYR 5 CO 0.37 0.22 -0.12 0.71 -1.57 0.00 0.00 175.55 175.16 2kby s TYR 6 N -3.08 2.83 -0.33 2.71 2.02 -1.26 -5.09 117.35 115.16 2kby s TYR 6 Ca 0.30 -0.86 -0.04 0.00 -0.37 0.00 0.00 57.07 56.10 2kby s TYR 6 Cb 0.05 -1.91 0.05 0.00 -0.40 0.00 0.00 41.96 39.74 2kby s TYR 6 CO 0.12 -0.38 0.07 -1.17 -1.57 0.00 0.00 175.55 172.62 2kby s LEU 7 N 0.74 4.20 -0.47 -1.29 2.96 -1.26 -5.06 118.68 118.50 2kby s LEU 7 Ca -0.05 -1.25 -0.27 0.00 -0.22 0.00 0.00 54.13 52.33 2kby s LEU 7 Cb -0.15 -1.80 0.03 0.00 0.50 0.00 0.00 46.19 44.76 2kby s LEU 7 CO 0.01 -0.31 1.04 -1.58 -1.32 0.00 0.00 176.35 174.19 2kby s GLN 8 N 1.33 3.63 -0.17 1.98 0.74 -1.26 -5.00 119.66 120.92 2kby s GLN 8 Ca -0.03 0.38 -0.01 0.00 0.05 0.00 0.00 55.36 55.75 2kby s GLN 8 Cb -0.20 -3.92 -0.01 0.00 1.10 0.00 0.00 33.01 29.99 2kby s GLN 8 CO 0.01 -1.31 -0.12 0.08 -0.55 0.00 0.00 175.29 173.40 2kby s VAL 9 N 4.14 2.92 -0.10 1.34 1.01 -1.26 -5.10 120.40 123.35 2kby s VAL 9 Ca 0.43 -0.68 -0.12 0.00 0.00 0.00 0.00 61.98 61.61 2kby s VAL 9 Cb -0.08 -2.26 -0.05 0.00 0.00 0.00 0.00 36.38 33.99 2kby s VAL 9 CO 0.29 0.50 0.28 -0.60 0.00 0.00 0.00 175.10 175.57 2kby s ARG 10 N 0.90 3.91 0.00 2.72 3.00 -1.26 -4.73 118.95 123.49 2kby s ARG 10 Ca -0.03 0.13 0.00 0.00 -1.00 0.00 0.00 55.73 54.83 2kby s ARG 10 Cb -0.15 -3.29 0.00 0.00 0.00 0.00 0.00 34.95 31.51 2kby s ARG 10 CO -0.01 0.54 0.00 0.41 0.00 0.00 0.00 175.30 176.25 2kby n GLY 11 N 2.48 -0.17 0.17 8.12 0.00 -1.26 -4.61 105.19 109.92 2kby n GLY 11 Ca -0.15 -1.15 -0.05 0.00 0.00 0.00 0.00 46.02 44.68 2kby n GLY 11 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 173.32 173.23 2kby h ARG 12 N 0.00 0.10 -0.52 1.61 9.65 -1.99 -1.09 114.38 122.15 2kby h ARG 12 Ca 0.00 -0.01 0.09 0.00 -1.10 0.00 0.00 59.98 58.96 2kby h ARG 12 Cb 0.00 -0.02 -0.07 0.00 -1.39 0.00 0.00 29.97 28.48 2kby h ARG 12 CO 0.00 0.07 0.10 1.49 2.80 0.00 0.00 179.97 184.43 2kby h GLU 13 N 0.11 0.23 -0.39 0.20 4.57 -2.00 0.46 114.58 117.77 2kby h GLU 13 Ca 0.19 -0.01 -0.06 0.00 -1.18 0.00 0.00 59.36 58.30 2kby h GLU 13 Cb 0.27 -0.05 -0.01 0.00 -0.16 0.00 0.00 28.75 28.79 2kby h GLU 13 CO -0.32 0.15 0.02 -0.91 -1.18 0.00 0.00 179.01 176.77 2kby h ASN 14 N 0.24 0.65 -0.47 1.04 2.35 -1.73 -2.36 115.58 115.32 2kby h ASN 14 Ca 0.26 -0.30 0.03 0.00 -0.55 0.00 0.00 56.30 55.75 2kby h ASN 14 Cb 0.36 -0.18 -0.04 0.00 0.05 0.00 0.00 38.32 38.52 2kby h ASN 14 CO -0.35 0.79 0.25 0.15 -1.65 0.00 0.00 177.43 176.62 2kby h PHE 15 N 0.50 0.46 -0.28 1.19 3.57 -0.46 -1.05 116.94 120.86 2kby h PHE 15 Ca 0.11 0.02 -0.01 0.00 3.53 0.00 0.00 57.97 61.62 2kby h PHE 15 Cb 0.45 -0.14 -0.01 0.00 2.79 0.00 0.00 35.95 39.04 2kby h PHE 15 CO 0.03 0.24 0.12 0.93 -2.23 0.00 0.00 178.31 177.41 2kby h GLU 16 N 0.49 0.41 -0.65 1.11 4.39 -0.86 0.67 114.58 120.15 2kby h GLU 16 Ca 0.20 -0.07 -0.02 0.00 0.34 0.00 0.00 59.36 59.81 2kby h GLU 16 Cb 0.08 -0.07 -0.03 0.00 -0.10 0.00 0.00 28.75 28.63 2kby h GLU 16 CO -0.13 0.42 0.33 0.82 -1.16 0.00 0.00 179.01 179.30 2kby h ILE 17 N 0.31 1.22 -0.02 3.13 2.04 -1.21 -0.34 117.51 122.63 2kby h ILE 17 Ca 0.10 -0.58 -0.20 0.00 1.00 0.00 0.00 64.86 65.18 2kby h ILE 17 Cb 0.15 0.40 -0.01 0.00 -0.74 0.00 0.00 36.82 36.63 2kby h ILE 17 CO -0.01 0.24 -0.84 -0.07 0.00 0.00 0.00 178.15 177.48 2kby h LEU 18 N 0.90 0.38 -0.06 1.44 3.38 -1.06 -2.33 115.31 117.96 2kby h LEU 18 Ca 0.23 -0.29 -0.01 0.00 0.09 0.00 0.00 57.88 57.90 2kby h LEU 18 Cb 0.08 -0.12 -0.00 0.00 0.09 0.00 0.00 40.66 40.72 2kby h LEU 18 CO -0.03 1.06 -0.01 -0.03 0.09 0.00 0.00 178.44 179.52 2kby h MET 19 N 0.19 0.11 -0.84 1.13 4.05 0.61 0.67 114.93 120.85 2kby h MET 19 Ca -0.05 -0.04 0.04 0.00 -0.28 0.00 0.00 59.70 59.37 2kby h MET 19 Cb 1.44 -0.01 -0.05 0.00 -0.80 0.00 0.00 31.60 32.19 2kby h MET 19 CO 0.14 0.43 0.55 -0.22 0.23 0.00 0.00 176.91 178.04 2kby h LYS 20 N -0.21 1.00 -0.34 0.39 3.11 -1.14 -1.74 116.57 117.65 2kby h LYS 20 Ca 0.02 -0.06 -0.10 0.00 -2.81 0.00 0.00 60.65 57.69 2kby h LYS 20 Cb 0.38 -0.23 -0.01 0.00 -1.00 0.00 0.00 32.23 31.38 2kby h LYS 20 CO 0.01 0.66 -0.19 1.25 -2.81 0.00 0.00 179.45 178.37 2kby h LEU 21 N 1.03 0.74 -0.94 5.20 6.46 -1.15 -2.72 115.31 123.94 2kby h LEU 21 Ca 0.34 -0.42 0.19 0.00 -0.12 0.00 0.00 57.88 57.87 2kby h LEU 21 Cb 0.05 -0.21 -0.11 0.00 -0.73 0.00 0.00 40.66 39.66 2kby h LEU 21 CO -0.10 1.00 0.51 0.50 -0.62 0.00 0.00 178.44 179.73 2kby h LYS 22 N 0.49 0.60 -0.31 1.25 3.64 0.12 0.15 116.57 122.53 2kby h LYS 22 Ca 0.07 -0.04 -0.07 0.00 -1.27 0.00 0.00 60.65 59.35 2kby h LYS 22 Cb 0.73 -0.14 -0.01 0.00 -0.41 0.00 0.00 32.23 32.40 2kby h LYS 22 CO 0.05 0.40 -0.08 0.93 -2.27 0.00 0.00 179.45 178.49 2kby h GLU 23 N 0.62 0.59 -0.34 1.90 5.08 -1.28 -1.23 114.58 119.93 2kby h GLU 23 Ca 0.55 -0.23 -0.00 0.00 -1.00 0.00 0.00 59.36 58.68 2kby h GLU 23 Cb 0.91 -0.03 -0.02 0.00 0.50 0.00 0.00 28.75 30.11 2kby h GLU 23 CO -0.42 0.78 0.20 0.66 -1.00 0.00 0.00 179.01 179.23 2kby h SER 24 N 0.36 0.41 -0.27 1.42 4.64 -0.50 0.36 113.55 119.98 2kby h SER 24 Ca 0.08 -0.06 -0.03 0.00 -0.47 0.00 0.00 61.79 61.31 2kby h SER 24 Cb 0.57 -0.10 -0.01 0.00 -0.31 0.00 0.00 62.40 62.54 2kby h SER 24 CO 0.03 0.34 0.06 -0.07 -0.87 0.00 0.00 176.83 176.32 2kby h LEU 25 N 0.44 0.41 -0.40 5.97 3.38 -0.92 -0.86 115.31 123.32 2kby h LEU 25 Ca 0.12 -0.24 -0.09 0.00 0.09 0.00 0.00 57.88 57.76 2kby h LEU 25 Cb 0.01 -0.11 -0.01 0.00 0.09 0.00 0.00 40.66 40.64 2kby h LEU 25 CO -0.02 0.55 -0.08 -0.33 0.09 0.00 0.00 178.44 178.64 2kby h GLU 26 N 0.26 0.76 -0.14 1.13 5.08 -1.12 -3.05 114.58 117.51 2kby h GLU 26 Ca 0.08 -0.29 -0.07 0.00 -1.00 0.00 0.00 59.36 58.09 2kby h GLU 26 Cb 0.30 -0.05 -0.01 0.00 0.50 0.00 0.00 28.75 29.49 2kby h GLU 26 CO 0.00 0.89 -0.23 -0.07 -1.00 0.00 0.00 179.01 178.60 2kby h LEU 27 N 0.58 0.24 -0.81 1.33 3.38 -0.23 -2.68 115.31 117.12 2kby h LEU 27 Ca 0.10 -0.07 0.00 0.00 0.09 0.00 0.00 57.88 58.01 2kby h LEU 27 Cb 0.60 -0.06 0.00 0.00 0.09 0.00 0.00 40.66 41.29 2kby h LEU 27 CO 0.04 0.48 0.15 0.80 0.09 0.00 0.00 178.44 180.00 2kby n MET 28 N -4.18 0.08 0.07 1.13 1.56 -0.33 -0.14 117.12 115.31 2kby n MET 28 Ca -0.01 0.54 0.06 0.00 -0.27 0.00 0.00 57.70 58.03 2kby n MET 28 Cb 0.34 -1.92 -0.04 0.00 2.15 0.00 0.00 33.22 33.75 2kby n MET 28 CO 0.00 0.00 0.00 -0.85 -0.73 0.00 0.00 175.97 174.39 2kby n GLU 29 N -1.93 0.61 -0.05 2.12 0.28 -1.01 -3.94 120.64 116.71 2kby n GLU 29 Ca -0.01 0.16 0.12 0.00 -0.16 0.00 0.00 57.16 57.27 2kby n GLU 29 Cb 0.17 -1.81 0.41 0.00 1.43 0.00 0.00 31.44 31.64 2kby n GLU 29 CO 0.00 0.00 0.00 1.47 -0.16 0.00 0.00 177.13 178.44 2kby n LEU 30 N -2.76 1.73 -4.64 -1.84 -0.00 0.81 -4.79 117.00 105.51 2kby n LEU 30 Ca -0.04 -0.67 -0.37 0.00 -0.00 0.00 0.00 56.01 54.92 2kby n LEU 30 Cb 0.68 -0.07 -0.10 0.00 -0.00 0.00 0.00 43.42 43.93 2kby n LEU 30 CO 0.41 0.34 -0.15 0.54 -0.00 0.00 0.00 177.39 178.53 2kby s VAL 31 N -1.86 5.33 -0.10 1.47 0.11 -1.17 -5.03 120.40 119.16 2kby s VAL 31 Ca 0.34 0.22 -0.41 0.00 -2.93 0.00 0.00 61.98 59.20 2kby s VAL 31 Cb 0.19 -3.52 -0.20 0.00 -1.53 0.00 0.00 36.38 31.32 2kby s VAL 31 CO 0.29 0.31 1.21 -2.65 -3.33 0.00 0.00 175.10 170.93 2kby n PRO 32 N 4.51 0.08 -0.23 1.54 -0.02 -1.26 -4.75 135.00 134.86 2kby n PRO 32 Ca -0.14 0.03 0.03 0.00 -2.02 0.00 0.00 63.50 61.40 2kby n PRO 32 Cb 0.52 -1.54 0.15 0.00 -0.02 0.00 0.00 33.50 32.61 2kby n PRO 32 CO 0.00 0.00 0.00 0.37 1.98 0.00 0.00 175.50 177.85 2kby h GLN 33 N 3.57 0.32 -0.43 -0.52 5.75 -1.94 -0.98 115.11 120.87 2kby h GLN 33 Ca -0.49 -0.02 0.07 0.00 -0.15 0.00 0.00 58.65 58.06 2kby h GLN 33 Cb 1.41 -0.07 -0.02 0.00 1.07 0.00 0.00 27.48 29.87 2kby h GLN 33 CO 0.73 0.21 0.30 -1.35 -2.65 0.00 0.00 178.83 176.07 2kby h PRO 34 N 0.32 0.28 0.01 -2.39 0.11 -2.00 -0.55 132.00 127.79 2kby h PRO 34 Ca 0.37 -0.02 -0.21 0.00 0.11 0.00 0.00 66.00 66.26 2kby h PRO 34 Cb 0.58 -0.06 -0.01 0.00 0.11 0.00 0.00 31.00 31.62 2kby h PRO 34 CO -0.43 0.18 -0.92 1.25 -0.21 0.00 0.00 178.00 177.87 2kby h LEU 35 N 0.28 0.25 -0.31 2.35 5.85 -1.54 -2.83 115.31 119.36 2kby h LEU 35 Ca 0.20 -0.21 -0.18 0.00 0.84 0.00 0.00 57.88 58.52 2kby h LEU 35 Cb 0.41 -0.08 -0.00 0.00 0.37 0.00 0.00 40.66 41.36 2kby h LEU 35 CO -0.04 1.04 -0.52 0.58 -0.34 0.00 0.00 178.44 179.16 2kby h VAL 36 N 0.10 1.27 -0.70 1.05 2.07 -0.77 -2.68 116.25 116.59 2kby h VAL 36 Ca -0.05 -1.70 0.04 0.00 0.82 0.00 0.00 66.70 65.80 2kby h VAL 36 Cb 1.57 1.58 -0.05 0.00 -1.52 0.00 0.00 31.29 32.88 2kby h VAL 36 CO 0.14 0.56 0.43 -0.78 0.02 0.00 0.00 177.57 177.94 2kby h ASP 37 N 0.69 0.70 -0.63 0.57 1.82 -1.12 -0.20 116.42 118.25 2kby h ASP 37 Ca 0.02 0.00 0.01 0.00 -0.39 0.00 0.00 57.03 56.68 2kby h ASP 37 Cb 1.13 -0.14 -0.03 0.00 0.68 0.00 0.00 39.33 40.96 2kby h ASP 37 CO 0.12 0.48 0.41 -1.28 -1.61 0.00 0.00 179.24 177.36 2kby h SER 38 N 0.84 0.69 -0.29 2.28 0.87 -1.39 -2.11 113.55 114.44 2kby h SER 38 Ca 0.29 -0.01 -0.01 0.00 -1.23 0.00 0.00 61.79 60.83 2kby h SER 38 Cb 0.05 -0.17 -0.01 0.00 -0.44 0.00 0.00 62.40 61.83 2kby h SER 38 CO -0.12 0.50 0.15 0.22 -0.53 0.00 0.00 176.83 177.05 2kby h TYR 39 N 0.82 0.41 -0.66 2.24 3.20 -1.03 -2.05 116.97 119.91 2kby h TYR 39 Ca 0.24 -0.01 0.11 0.00 3.14 0.00 0.00 58.73 62.21 2kby h TYR 39 Cb -0.06 -0.13 -0.04 0.00 1.54 0.00 0.00 36.73 38.04 2kby h TYR 39 CO -0.04 0.35 0.44 0.00 -1.64 0.00 0.00 178.16 177.28 2kby h ARG 40 N 0.35 0.43 -0.00 1.82 3.08 -0.71 0.76 114.38 120.11 2kby h ARG 40 Ca 0.10 -0.03 -0.00 0.00 0.07 0.00 0.00 59.98 60.13 2kby h ARG 40 Cb 0.09 -0.10 -0.00 0.00 0.08 0.00 0.00 29.97 30.04 2kby h ARG 40 CO -0.02 0.28 -0.00 0.37 -1.07 0.00 0.00 179.97 179.53 2kby h GLN 41 N 0.44 0.01 0.00 0.04 5.75 -0.95 0.36 115.11 120.76 2kby h GLN 41 Ca 0.31 -0.00 -0.00 0.00 -0.15 0.00 0.00 58.65 58.81 2kby h GLN 41 Cb 0.63 0.00 -0.00 0.00 1.07 0.00 0.00 27.48 29.18 2kby h GLN 41 CO -0.09 0.47 -0.01 0.37 -2.65 0.00 0.00 178.83 176.92 2kby h GLN 42 N -0.46 0.00 0.02 1.69 4.15 -0.58 -1.64 115.11 118.29 2kby h GLN 42 Ca 0.00 0.00 -0.28 0.00 0.77 0.00 0.00 58.65 59.14 2kby h GLN 42 Cb 0.47 0.00 -0.04 0.00 0.21 0.00 0.00 27.48 28.12 2kby h GLN 42 CO 0.00 0.01 -1.54 0.37 -1.93 0.00 0.00 178.83 175.74 2kby h GLN 43 N 0.00 0.04 0.00 1.69 5.75 -0.80 -3.30 115.11 118.50 2kby h GLN 43 Ca -0.00 -0.07 -0.01 0.00 -0.15 0.00 0.00 58.65 58.41 2kby h GLN 43 Cb 0.02 0.03 -0.00 0.00 1.07 0.00 0.00 27.48 28.59 2kby h GLN 43 CO 0.00 0.72 -0.07 0.37 -2.65 0.00 0.00 178.83 177.21 2kby h GLN 44 N 0.01 0.00 -0.22 1.69 5.75 0.65 -2.73 115.11 120.26 2kby h GLN 44 Ca -0.22 0.00 0.04 0.00 -0.15 0.00 0.00 58.65 58.32 2kby h GLN 44 Cb 1.96 0.00 -0.04 0.00 1.07 0.00 0.00 27.48 30.47 2kby h GLN 44 CO 0.10 0.07 -0.05 1.25 -2.65 0.00 0.00 178.83 177.55 2kby h LEU 45 N 0.00 -0.19 -7.11 -2.39 5.85 -1.48 -3.37 115.31 106.61 2kby h LEU 45 Ca -0.00 0.06 -0.58 0.00 0.84 0.00 0.00 57.88 58.20 2kby h LEU 45 Cb 0.28 0.13 -0.40 0.00 0.37 0.00 0.00 40.66 41.04 2kby h LEU 45 CO 0.01 -0.07 -0.76 -0.22 -0.34 0.00 0.00 178.44 177.06 2kby s LEU 46 N -10.42 2.19 -0.25 2.25 2.96 -1.03 -4.98 118.68 109.40 2kby s LEU 46 Ca -0.13 -1.73 0.01 0.00 -0.22 0.00 0.00 54.13 52.05 2kby s LEU 46 Cb 0.11 -0.85 0.29 0.00 0.50 0.00 0.00 46.19 46.23 2kby s LEU 46 CO 0.69 -0.40 1.64 1.67 -1.32 0.00 0.00 176.35 178.62 2kby n GLN 47 N 4.72 1.67 0.00 1.98 -0.06 -1.25 -4.93 117.38 119.52 2kby n GLN 47 Ca -0.01 -1.49 0.00 0.00 -2.00 0.00 0.00 57.00 53.50 2kby n GLN 47 Cb 0.41 -1.58 0.00 0.00 -4.06 0.00 0.00 30.24 25.01 2kby n GLN 47 CO 0.00 0.00 0.00 0.54 -0.20 0.00 0.00 177.06 177.40