#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 -0.40 -0.16 0.00 0.00 177.13 176.57 2kby n ASP 3 N 0.00 0.00 -4.77 -1.84 5.75 -1.26 -4.96 116.55 109.47 2kby n ASP 3 Ca 0.00 0.00 -0.38 0.00 -0.01 0.00 0.00 54.79 54.40 2kby n ASP 3 Cb 0.32 0.00 -0.02 0.00 -1.03 0.00 0.00 41.12 40.39 2kby n ASP 3 CO 0.00 0.00 0.00 -0.89 -0.11 0.00 0.00 177.20 176.20 2kby s THR 4 N 0.00 3.21 0.28 2.12 2.01 -1.26 -5.04 115.64 116.97 2kby s THR 4 Ca 0.00 1.04 0.05 0.00 0.31 0.00 0.00 61.69 63.09 2kby s THR 4 Cb 0.00 -3.59 -0.06 0.00 0.01 0.00 0.00 72.50 68.86 2kby s THR 4 CO 0.00 0.11 -0.02 -0.31 -0.69 0.00 0.00 174.62 173.71 2kby s TYR 5 N -1.40 1.88 -0.13 4.92 2.02 -1.26 -5.14 117.35 118.24 2kby s TYR 5 Ca 0.55 -0.80 0.01 0.00 -0.37 0.00 0.00 57.07 56.47 2kby s TYR 5 Cb -0.30 -1.12 -0.01 0.00 -0.40 0.00 0.00 41.96 40.13 2kby s TYR 5 CO 0.39 0.16 -0.16 0.71 -1.57 0.00 0.00 175.55 175.07 2kby s TYR 6 N -3.15 2.74 -0.20 2.71 2.02 -1.26 -5.10 117.35 115.12 2kby s TYR 6 Ca 0.31 -0.90 -0.04 0.00 -0.37 0.00 0.00 57.07 56.07 2kby s TYR 6 Cb 0.05 -1.83 -0.02 0.00 -0.40 0.00 0.00 41.96 39.76 2kby s TYR 6 CO 0.12 -0.37 -0.03 -1.17 -1.57 0.00 0.00 175.55 172.53 2kby s LEU 7 N 0.54 3.07 -0.40 -1.29 2.96 -1.26 -5.08 118.68 117.23 2kby s LEU 7 Ca -0.10 -0.28 -0.15 0.00 -0.22 0.00 0.00 54.13 53.38 2kby s LEU 7 Cb -0.16 -1.77 0.01 0.00 0.50 0.00 0.00 46.19 44.77 2kby s LEU 7 CO 0.04 0.05 0.33 -1.58 -1.32 0.00 0.00 176.35 173.87 2kby s GLN 8 N 1.07 3.14 -0.14 1.98 0.74 -1.26 -5.04 119.66 120.16 2kby s GLN 8 Ca 0.01 -0.84 0.01 0.00 0.05 0.00 0.00 55.36 54.60 2kby s GLN 8 Cb -0.15 -3.93 0.00 0.00 1.10 0.00 0.00 33.01 30.03 2kby s GLN 8 CO 0.01 -0.71 -0.18 0.08 -0.55 0.00 0.00 175.29 173.93 2kby s VAL 9 N 1.84 2.45 -0.07 1.34 1.01 -1.26 -5.11 120.40 120.60 2kby s VAL 9 Ca 0.08 -0.86 -0.11 0.00 0.00 0.00 0.00 61.98 61.09 2kby s VAL 9 Cb -0.18 -2.00 -0.05 0.00 0.00 0.00 0.00 36.38 34.15 2kby s VAL 9 CO 0.11 0.53 0.28 -0.60 0.00 0.00 0.00 175.10 175.43 2kby s ARG 10 N 0.68 3.75 0.00 2.72 3.00 -1.26 -4.71 118.95 123.13 2kby s ARG 10 Ca -0.09 0.15 0.00 0.00 -1.00 0.00 0.00 55.73 54.79 2kby s ARG 10 Cb -0.16 -3.23 0.00 0.00 0.00 0.00 0.00 34.95 31.56 2kby s ARG 10 CO 0.02 0.68 0.00 0.41 0.00 0.00 0.00 175.30 176.41 2kby n GLY 11 N 2.06 -0.76 0.20 8.12 0.00 -1.26 -4.58 105.19 108.97 2kby n GLY 11 Ca -0.16 -1.08 -0.02 0.00 0.00 0.00 0.00 46.02 44.75 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 0.25 -0.52 1.61 9.65 -1.99 -1.17 114.38 122.21 2kby h ARG 12 Ca 0.00 -0.02 0.09 0.00 -1.10 0.00 0.00 59.98 58.95 2kby h ARG 12 Cb 0.00 -0.06 -0.07 0.00 -1.39 0.00 0.00 29.97 28.45 2kby h ARG 12 CO 0.00 0.17 0.12 1.49 2.80 0.00 0.00 179.97 184.54 2kby h GLU 13 N 0.26 0.25 -0.35 0.20 4.57 -2.00 0.11 114.58 117.62 2kby h GLU 13 Ca 0.26 -0.01 -0.06 0.00 -1.18 0.00 0.00 59.36 58.36 2kby h GLU 13 Cb 0.34 -0.06 -0.01 0.00 -0.16 0.00 0.00 28.75 28.86 2kby h GLU 13 CO -0.32 0.16 -0.01 -0.91 -1.18 0.00 0.00 179.01 176.75 2kby h ASN 14 N 0.26 0.62 -0.49 1.04 2.35 -1.70 -2.26 115.58 115.39 2kby h ASN 14 Ca 0.26 -0.32 0.01 0.00 -0.55 0.00 0.00 56.30 55.71 2kby h ASN 14 Cb 0.36 -0.17 -0.03 0.00 0.05 0.00 0.00 38.32 38.53 2kby h ASN 14 CO -0.33 0.79 0.32 0.15 -1.65 0.00 0.00 177.43 176.70 2kby h PHE 15 N 0.43 0.60 -0.21 1.19 3.57 -0.56 -1.27 116.94 120.69 2kby h PHE 15 Ca 0.10 0.02 -0.01 0.00 3.53 0.00 0.00 57.97 61.60 2kby h PHE 15 Cb 0.48 -0.20 -0.01 0.00 2.79 0.00 0.00 35.95 39.01 2kby h PHE 15 CO 0.04 0.36 0.08 0.93 -2.23 0.00 0.00 178.31 177.49 2kby h GLU 16 N 0.64 0.31 -0.58 1.11 4.39 -0.75 0.79 114.58 120.50 2kby h GLU 16 Ca 0.19 -0.06 -0.01 0.00 0.34 0.00 0.00 59.36 59.83 2kby h GLU 16 Cb -0.04 -0.05 -0.03 0.00 -0.10 0.00 0.00 28.75 28.53 2kby h GLU 16 CO -0.06 0.37 0.34 0.82 -1.16 0.00 0.00 179.01 179.33 2kby h ILE 17 N 0.18 1.18 -0.01 3.13 2.04 -1.27 -0.89 117.51 121.87 2kby h ILE 17 Ca 0.07 -0.41 -0.20 0.00 1.00 0.00 0.00 64.86 65.32 2kby h ILE 17 Cb 0.18 0.40 -0.01 0.00 -0.74 0.00 0.00 36.82 36.65 2kby h ILE 17 CO -0.01 0.18 -0.85 0.25 0.00 0.00 0.00 178.15 177.73 2kby h LEU 18 N 0.78 0.32 -0.01 1.44 5.85 -1.12 -2.35 115.31 120.21 2kby h LEU 18 Ca 0.21 -0.24 -0.00 0.00 0.84 0.00 0.00 57.88 58.68 2kby h LEU 18 Cb -0.00 -0.10 -0.00 0.00 0.37 0.00 0.00 40.66 40.93 2kby h LEU 18 CO -0.04 1.03 -0.00 -0.03 -0.34 0.00 0.00 178.44 179.06 2kby h MET 19 N 0.14 0.02 -0.72 1.25 4.05 0.86 0.80 114.93 121.34 2kby h MET 19 Ca -0.05 -0.01 0.05 0.00 -0.28 0.00 0.00 59.70 59.42 2kby h MET 19 Cb 1.46 -0.00 -0.04 0.00 -0.80 0.00 0.00 31.60 32.22 2kby h MET 19 CO 0.13 0.34 0.47 -0.22 0.23 0.00 0.00 176.91 177.87 2kby h LYS 20 N -0.31 0.77 -0.18 0.39 3.11 -1.25 -1.35 116.57 117.76 2kby h LYS 20 Ca 0.00 -0.05 -0.16 0.00 -2.81 0.00 0.00 60.65 57.63 2kby h LYS 20 Cb 0.34 -0.17 -0.01 0.00 -1.00 0.00 0.00 32.23 31.39 2kby h LYS 20 CO 0.00 0.51 -0.57 1.25 -2.81 0.00 0.00 179.45 177.84 2kby h LEU 21 N 0.80 0.62 -1.18 5.20 5.85 -1.00 -2.76 115.31 122.83 2kby h LEU 21 Ca 0.30 -0.33 0.05 0.00 0.84 0.00 0.00 57.88 58.73 2kby h LEU 21 Cb 0.18 -0.18 -0.05 0.00 0.37 0.00 0.00 40.66 40.98 2kby h LEU 21 CO -0.09 1.05 0.56 0.50 -0.34 0.00 0.00 178.44 180.12 2kby h LYS 22 N 0.42 1.00 -0.34 1.25 3.11 0.18 -0.71 116.57 121.47 2kby h LYS 22 Ca 0.00 -0.06 -0.06 0.00 -2.81 0.00 0.00 60.65 57.72 2kby h LYS 22 Cb 1.11 -0.22 -0.01 0.00 -1.00 0.00 0.00 32.23 32.11 2kby h LYS 22 CO 0.11 0.66 -0.04 0.93 -2.81 0.00 0.00 179.45 178.30 2kby h GLU 23 N 1.03 0.63 -0.36 1.90 5.08 -1.29 -1.22 114.58 120.34 2kby h GLU 23 Ca 0.36 -0.22 -0.00 0.00 -1.00 0.00 0.00 59.36 58.49 2kby h GLU 23 Cb 0.11 -0.05 -0.02 0.00 0.50 0.00 0.00 28.75 29.29 2kby h GLU 23 CO -0.12 0.77 0.22 0.66 -1.00 0.00 0.00 179.01 179.55 2kby h SER 24 N 0.42 0.44 -0.29 1.42 4.64 -1.01 0.37 113.55 119.53 2kby h SER 24 Ca 0.09 -0.05 -0.02 0.00 -0.47 0.00 0.00 61.79 61.34 2kby h SER 24 Cb 0.52 -0.11 -0.01 0.00 -0.31 0.00 0.00 62.40 62.48 2kby h SER 24 CO 0.03 0.36 0.09 -0.07 -0.87 0.00 0.00 176.83 176.37 2kby h LEU 25 N 0.48 0.42 -0.40 5.97 3.38 -1.15 -0.96 115.31 123.05 2kby h LEU 25 Ca 0.13 -0.20 -0.10 0.00 0.09 0.00 0.00 57.88 57.80 2kby h LEU 25 Cb 0.00 -0.11 -0.01 0.00 0.09 0.00 0.00 40.66 40.63 2kby h LEU 25 CO -0.02 0.51 -0.13 -0.33 0.09 0.00 0.00 178.44 178.56 2kby h GLU 26 N 0.31 0.79 -0.21 1.13 5.08 -1.09 -3.07 114.58 117.52 2kby h GLU 26 Ca 0.09 -0.32 -0.07 0.00 -1.00 0.00 0.00 59.36 58.07 2kby h GLU 26 Cb 0.24 -0.04 -0.01 0.00 0.50 0.00 0.00 28.75 29.43 2kby h GLU 26 CO -0.00 0.94 -0.17 -0.07 -1.00 0.00 0.00 179.01 178.70 2kby h LEU 27 N 0.61 0.35 -0.85 1.33 3.38 -0.22 -2.60 115.31 117.30 2kby h LEU 27 Ca 0.10 -0.09 0.00 0.00 0.09 0.00 0.00 57.88 57.98 2kby h LEU 27 Cb 0.66 -0.09 0.00 0.00 0.09 0.00 0.00 40.66 41.32 2kby h LEU 27 CO 0.05 0.54 0.13 0.80 0.09 0.00 0.00 178.44 180.05 2kby n MET 28 N -4.20 0.08 0.08 1.13 1.56 -0.37 -0.16 117.12 115.24 2kby n MET 28 Ca -0.00 0.55 0.08 0.00 -0.27 0.00 0.00 57.70 58.06 2kby n MET 28 Cb 0.33 -1.91 -0.03 0.00 2.15 0.00 0.00 33.22 33.76 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 -1.95 0.61 -0.07 2.12 0.28 -0.98 -3.94 120.64 116.71 2kby n GLU 29 Ca -0.01 0.14 0.11 0.00 -0.16 0.00 0.00 57.16 57.24 2kby n GLU 29 Cb 0.15 -1.81 0.37 0.00 1.43 0.00 0.00 31.44 31.58 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 -2.72 1.89 -4.64 -1.84 -0.00 0.77 -4.80 117.00 105.65 2kby n LEU 30 Ca -0.03 -0.76 -0.37 0.00 -0.00 0.00 0.00 56.01 54.85 2kby n LEU 30 Cb 0.63 -0.10 -0.10 0.00 -0.00 0.00 0.00 43.42 43.86 2kby n LEU 30 CO 0.41 0.38 -0.16 0.54 -0.00 0.00 0.00 177.39 178.56 2kby s VAL 31 N -1.81 5.34 -0.06 1.47 0.11 -1.17 -5.03 120.40 119.25 2kby s VAL 31 Ca 0.34 0.20 -0.41 0.00 -2.93 0.00 0.00 61.98 59.18 2kby s VAL 31 Cb 0.19 -3.52 -0.19 0.00 -1.53 0.00 0.00 36.38 31.33 2kby s VAL 31 CO 0.28 0.32 1.19 -2.65 -3.33 0.00 0.00 175.10 170.91 2kby n PRO 32 N 4.49 0.18 -0.23 1.54 -0.02 -1.26 -4.76 135.00 134.94 2kby n PRO 32 Ca -0.14 0.06 0.03 0.00 -2.02 0.00 0.00 63.50 61.43 2kby n PRO 32 Cb 0.52 -1.59 0.15 0.00 -0.02 0.00 0.00 33.50 32.56 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 0.35 -0.58 -0.52 4.15 -1.94 -1.13 115.11 119.00 2kby h GLN 33 Ca -0.50 -0.02 0.11 0.00 0.77 0.00 0.00 58.65 59.01 2kby h GLN 33 Cb 1.41 -0.08 -0.03 0.00 0.21 0.00 0.00 27.48 28.98 2kby h GLN 33 CO 0.72 0.23 0.39 -1.35 -1.93 0.00 0.00 178.83 176.89 2kby h PRO 34 N 0.36 0.34 0.01 -2.39 0.11 -2.00 0.03 132.00 128.45 2kby h PRO 34 Ca 0.37 -0.02 -0.20 0.00 0.11 0.00 0.00 66.00 66.25 2kby h PRO 34 Cb 0.54 -0.08 -0.01 0.00 0.11 0.00 0.00 31.00 31.57 2kby h PRO 34 CO -0.40 0.22 -0.91 1.25 -0.21 0.00 0.00 178.00 177.95 2kby h LEU 35 N 0.35 0.24 -0.33 2.35 5.85 -1.57 -2.83 115.31 119.37 2kby h LEU 35 Ca 0.27 -0.20 -0.18 0.00 0.84 0.00 0.00 57.88 58.61 2kby h LEU 35 Cb 0.61 -0.07 -0.00 0.00 0.37 0.00 0.00 40.66 41.56 2kby h LEU 35 CO -0.07 1.03 -0.52 0.58 -0.34 0.00 0.00 178.44 179.12 2kby h VAL 36 N 0.09 1.28 -0.66 1.05 2.07 -0.69 -2.67 116.25 116.72 2kby h VAL 36 Ca -0.05 -1.71 0.03 0.00 0.82 0.00 0.00 66.70 65.80 2kby h VAL 36 Cb 1.55 1.59 -0.04 0.00 -1.52 0.00 0.00 31.29 32.88 2kby h VAL 36 CO 0.14 0.56 0.41 -0.78 0.02 0.00 0.00 177.57 177.91 2kby h ASP 37 N 0.67 0.65 -0.64 0.57 1.82 -1.02 0.23 116.42 118.70 2kby h ASP 37 Ca 0.02 0.01 0.01 0.00 -0.39 0.00 0.00 57.03 56.68 2kby h ASP 37 Cb 1.12 -0.13 -0.03 0.00 0.68 0.00 0.00 39.33 40.97 2kby h ASP 37 CO 0.12 0.45 0.41 -1.28 -1.61 0.00 0.00 179.24 177.33 2kby h SER 38 N 0.79 0.70 -0.31 2.28 0.87 -1.39 -1.88 113.55 114.60 2kby h SER 38 Ca 0.27 -0.01 -0.01 0.00 -1.23 0.00 0.00 61.79 60.81 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 0.16 0.22 -0.53 0.00 0.00 176.83 177.06 2kby h TYR 39 N 0.83 0.44 -0.61 2.24 3.20 -1.02 -2.38 116.97 119.67 2kby h TYR 39 Ca 0.24 -0.02 0.11 0.00 3.14 0.00 0.00 58.73 62.21 2kby h TYR 39 Cb -0.06 -0.14 -0.04 0.00 1.54 0.00 0.00 36.73 38.04 2kby h TYR 39 CO -0.04 0.37 0.41 0.00 -1.64 0.00 0.00 178.16 177.27 2kby h ARG 40 N 0.37 0.36 -0.26 1.82 3.08 -0.57 0.29 114.38 119.47 2kby h ARG 40 Ca 0.11 -0.02 -0.04 0.00 0.07 0.00 0.00 59.98 60.10 2kby h ARG 40 Cb 0.09 -0.08 -0.01 0.00 0.08 0.00 0.00 29.97 30.05 2kby h ARG 40 CO -0.02 0.24 0.01 0.37 -1.07 0.00 0.00 179.97 179.50 2kby h GLN 41 N 0.37 0.44 -0.31 0.04 4.15 -0.86 0.48 115.11 119.43 2kby h GLN 41 Ca 0.29 -0.13 -0.00 0.00 0.77 0.00 0.00 58.65 59.57 2kby h GLN 41 Cb 0.64 -0.04 -0.02 0.00 0.21 0.00 0.00 27.48 28.27 2kby h GLN 41 CO -0.08 0.60 0.18 0.37 -1.93 0.00 0.00 178.83 177.98 2kby h GLN 42 N 0.23 0.41 0.00 1.69 5.75 -0.60 -1.07 115.11 121.52 2kby h GLN 42 Ca 0.07 -0.03 -0.22 0.00 -0.15 0.00 0.00 58.65 58.33 2kby h GLN 42 Cb 0.39 -0.09 -0.03 0.00 1.07 0.00 0.00 27.48 28.82 2kby h GLN 42 CO 0.01 0.29 -1.10 0.37 -2.65 0.00 0.00 178.83 175.75 2kby h GLN 43 N 0.42 0.00 0.00 1.69 -0.00 -0.90 -3.21 115.11 113.11 2kby h GLN 43 Ca 0.11 0.00 -0.01 0.00 -0.00 0.00 0.00 58.65 58.75 2kby h GLN 43 Cb -0.02 0.00 -0.00 0.00 0.00 0.00 0.00 27.48 27.46 2kby h GLN 43 CO -0.02 0.88 -0.05 0.37 0.00 0.00 0.00 178.83 180.00 2kby h GLN 44 N 0.00 0.00 -0.37 1.69 5.75 0.12 -2.99 115.11 119.32 2kby h GLN 44 Ca -0.06 0.00 0.06 0.00 -0.15 0.00 0.00 58.65 58.51 2kby h GLN 44 Cb 1.79 0.00 -0.06 0.00 1.07 0.00 0.00 27.48 30.28 2kby h GLN 44 CO 0.12 0.05 0.01 1.25 -2.65 0.00 0.00 178.83 177.61 2kby h LEU 45 N 0.00 -0.12 -7.01 -2.39 5.85 -1.35 -3.43 115.31 106.86 2kby h LEU 45 Ca -0.00 0.08 0.06 0.00 0.84 0.00 0.00 57.88 58.86 2kby h LEU 45 Cb 0.40 0.14 -0.21 0.00 0.37 0.00 0.00 40.66 41.36 2kby h LEU 45 CO 0.01 -0.03 -0.10 -1.48 -0.34 0.00 0.00 178.44 176.50 2kby s LEU 46 N -10.46 -1.07 -1.04 2.25 0.05 -1.13 -5.06 118.68 102.22 2kby s LEU 46 Ca -0.13 1.54 -0.02 0.00 0.05 0.00 0.00 54.13 55.57 2kby s LEU 46 Cb 0.13 2.29 0.32 0.00 -2.05 0.00 0.00 46.19 46.87 2kby s LEU 46 CO 0.71 -0.23 1.78 1.67 -0.55 0.00 0.00 176.35 179.73 2kby n GLN 47 N 5.13 5.27 0.00 1.48 -0.06 -1.26 -4.91 117.38 123.04 2kby n GLN 47 Ca -0.14 -4.63 0.00 0.00 -2.00 0.00 0.00 57.00 50.23 2kby n GLN 47 Cb 0.52 -2.48 0.00 0.00 -4.06 0.00 0.00 30.24 24.22 2kby n GLN 47 CO 0.00 0.00 0.00 0.54 -0.20 0.00 0.00 177.06 177.40