#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 -5.16 120.64 113.26 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 -3.47 -0.16 0.00 0.00 177.13 173.50 2kby n ASP 3 N 0.00 -1.04 -4.76 -1.84 2.03 -1.26 -4.78 116.55 104.90 2kby n ASP 3 Ca 0.00 0.00 -0.40 0.00 0.52 0.00 0.00 54.79 54.91 2kby n ASP 3 Cb 0.00 0.00 -0.04 0.00 -0.72 0.00 0.00 41.12 40.36 2kby n ASP 3 CO 0.00 0.00 0.00 -0.89 -1.92 0.00 0.00 177.20 174.39 2kby s THR 4 N 0.00 3.29 0.29 5.18 2.01 -1.26 -5.04 115.64 120.12 2kby s THR 4 Ca 0.00 1.28 0.06 0.00 0.31 0.00 0.00 61.69 63.33 2kby s THR 4 Cb 0.00 -3.80 -0.06 0.00 0.01 0.00 0.00 72.50 68.65 2kby s THR 4 CO 0.00 0.28 -0.02 -0.31 -0.69 0.00 0.00 174.62 173.88 2kby s TYR 5 N -1.20 1.95 -0.16 4.92 2.02 -1.26 -5.14 117.35 118.48 2kby s TYR 5 Ca 0.47 -0.78 -0.01 0.00 -0.37 0.00 0.00 57.07 56.39 2kby s TYR 5 Cb -0.33 -1.17 -0.01 0.00 -0.40 0.00 0.00 41.96 40.05 2kby s TYR 5 CO 0.43 0.20 -0.12 0.71 -1.57 0.00 0.00 175.55 175.20 2kby s TYR 6 N -3.10 2.84 -0.32 2.71 2.02 -1.26 -5.09 117.35 115.15 2kby s TYR 6 Ca 0.31 -0.89 -0.04 0.00 -0.37 0.00 0.00 57.07 56.08 2kby s TYR 6 Cb 0.05 -1.92 0.04 0.00 -0.40 0.00 0.00 41.96 39.73 2kby s TYR 6 CO 0.13 -0.40 0.06 -1.17 -1.57 0.00 0.00 175.55 172.59 2kby s LEU 7 N 0.80 4.14 -0.42 -1.29 2.96 -1.26 -5.07 118.68 118.54 2kby s LEU 7 Ca -0.04 -1.19 -0.28 0.00 -0.22 0.00 0.00 54.13 52.40 2kby s LEU 7 Cb -0.15 -1.80 0.02 0.00 0.50 0.00 0.00 46.19 44.76 2kby s LEU 7 CO 0.01 -0.30 1.04 -1.58 -1.32 0.00 0.00 176.35 174.20 2kby s GLN 8 N 1.34 3.77 -0.14 1.98 0.74 -1.26 -5.00 119.66 121.09 2kby s GLN 8 Ca -0.03 0.58 0.02 0.00 0.05 0.00 0.00 55.36 55.98 2kby s GLN 8 Cb -0.20 -3.86 0.00 0.00 1.10 0.00 0.00 33.01 30.06 2kby s GLN 8 CO 0.01 -1.18 -0.19 0.08 -0.55 0.00 0.00 175.29 173.47 2kby s VAL 9 N 3.97 2.35 -0.10 1.34 1.01 -1.26 -5.11 120.40 122.60 2kby s VAL 9 Ca 0.43 -0.88 -0.11 0.00 0.00 0.00 0.00 61.98 61.42 2kby s VAL 9 Cb -0.10 -1.96 -0.05 0.00 0.00 0.00 0.00 36.38 34.28 2kby s VAL 9 CO 0.25 0.53 0.25 -0.60 0.00 0.00 0.00 175.10 175.54 2kby s ARG 10 N 0.76 3.81 0.00 2.72 3.00 -1.26 -4.73 118.95 123.25 2kby s ARG 10 Ca -0.07 0.07 0.00 0.00 -1.00 0.00 0.00 55.73 54.73 2kby s ARG 10 Cb -0.16 -3.26 0.00 0.00 0.00 0.00 0.00 34.95 31.53 2kby s ARG 10 CO 0.00 0.61 0.00 0.41 0.00 0.00 0.00 175.30 176.32 2kby n GLY 11 N 2.33 -0.50 0.16 8.12 0.00 -1.26 -4.59 105.19 109.46 2kby n GLY 11 Ca -0.16 -1.13 -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 0.08 -0.60 1.61 9.65 -1.99 -0.99 114.38 122.14 2kby h ARG 12 Ca 0.00 -0.00 0.10 0.00 -1.10 0.00 0.00 59.98 58.98 2kby h ARG 12 Cb 0.00 -0.02 -0.08 0.00 -1.39 0.00 0.00 29.97 28.48 2kby h ARG 12 CO 0.00 0.05 0.18 1.49 2.80 0.00 0.00 179.97 184.49 2kby h GLU 13 N 0.08 0.32 -0.20 0.20 4.81 -2.00 0.69 114.58 118.49 2kby h GLU 13 Ca 0.19 -0.02 -0.02 0.00 -0.13 0.00 0.00 59.36 59.37 2kby h GLU 13 Cb 0.27 -0.07 -0.01 0.00 0.63 0.00 0.00 28.75 29.57 2kby h GLU 13 CO -0.33 0.21 0.03 -0.97 -0.73 0.00 0.00 179.01 177.23 2kby h ASN 14 N 0.33 0.31 -0.54 1.04 -0.73 -1.70 -2.40 115.58 111.89 2kby h ASN 14 Ca 0.31 -0.26 0.06 0.00 1.87 0.00 0.00 56.30 58.29 2kby h ASN 14 Cb 0.43 -0.08 -0.05 0.00 0.27 0.00 0.00 38.32 38.88 2kby h ASN 14 CO -0.35 0.49 0.24 0.15 -0.37 0.00 0.00 177.43 177.59 2kby h PHE 15 N 0.12 0.44 -0.32 0.67 3.57 -0.43 -1.34 116.94 119.65 2kby h PHE 15 Ca 0.06 0.02 -0.02 0.00 3.53 0.00 0.00 57.97 61.57 2kby h PHE 15 Cb 0.31 -0.12 -0.01 0.00 2.79 0.00 0.00 35.95 38.92 2kby h PHE 15 CO 0.02 0.18 0.13 0.93 -2.23 0.00 0.00 178.31 177.34 2kby h GLU 16 N 0.46 0.48 -0.55 1.11 4.39 -0.82 0.57 114.58 120.21 2kby h GLU 16 Ca 0.25 -0.09 -0.02 0.00 0.34 0.00 0.00 59.36 59.85 2kby h GLU 16 Cb 0.21 -0.08 -0.03 0.00 -0.10 0.00 0.00 28.75 28.76 2kby h GLU 16 CO -0.21 0.48 0.28 0.82 -1.16 0.00 0.00 179.01 179.22 2kby h ILE 17 N 0.37 1.20 -0.09 3.13 2.04 -1.12 -0.64 117.51 122.40 2kby h ILE 17 Ca 0.11 -0.54 -0.21 0.00 1.00 0.00 0.00 64.86 65.22 2kby h ILE 17 Cb 0.18 0.54 0.00 0.00 -0.74 0.00 0.00 36.82 36.81 2kby h ILE 17 CO -0.01 0.22 -0.80 -0.07 0.00 0.00 0.00 178.15 177.49 2kby h LEU 18 N 0.74 0.68 -0.04 1.44 4.07 -1.15 -2.40 115.31 118.66 2kby h LEU 18 Ca 0.19 -0.47 -0.00 0.00 0.08 0.00 0.00 57.88 57.68 2kby h LEU 18 Cb 0.09 -0.20 -0.00 0.00 1.08 0.00 0.00 40.66 41.63 2kby h LEU 18 CO -0.03 1.24 0.02 -0.03 -1.08 0.00 0.00 178.44 178.56 2kby h MET 19 N 0.37 0.06 -0.74 1.13 4.05 0.34 0.71 114.93 120.86 2kby h MET 19 Ca -0.05 -0.01 0.05 0.00 -0.28 0.00 0.00 59.70 59.41 2kby h MET 19 Cb 1.40 -0.01 -0.04 0.00 -0.80 0.00 0.00 31.60 32.15 2kby h MET 19 CO 0.15 0.20 0.48 -0.22 0.23 0.00 0.00 176.91 177.75 2kby h LYS 20 N -0.10 0.81 -0.35 0.39 3.11 -1.18 -1.79 116.57 117.46 2kby h LYS 20 Ca 0.01 -0.05 -0.17 0.00 -2.81 0.00 0.00 60.65 57.63 2kby h LYS 20 Cb 0.16 -0.18 -0.00 0.00 -1.00 0.00 0.00 32.23 31.21 2kby h LYS 20 CO -0.00 0.54 -0.46 1.25 -2.81 0.00 0.00 179.45 177.97 2kby h LEU 21 N 0.83 1.00 -1.15 5.20 6.46 -0.86 -2.69 115.31 124.11 2kby h LEU 21 Ca 0.31 -0.49 0.11 0.00 -0.12 0.00 0.00 57.88 57.68 2kby h LEU 21 Cb 0.16 -0.28 -0.07 0.00 -0.73 0.00 0.00 40.66 39.73 2kby h LEU 21 CO -0.10 1.30 0.60 0.50 -0.62 0.00 0.00 178.44 180.12 2kby h LYS 22 N 0.73 0.87 -0.29 1.25 3.11 0.13 0.37 116.57 122.74 2kby h LYS 22 Ca 0.04 -0.05 -0.05 0.00 -2.81 0.00 0.00 60.65 57.77 2kby h LYS 22 Cb 1.06 -0.20 -0.01 0.00 -1.00 0.00 0.00 32.23 32.09 2kby h LYS 22 CO 0.11 0.58 -0.03 0.93 -2.81 0.00 0.00 179.45 178.22 2kby h GLU 23 N 0.90 0.53 -0.10 1.90 5.08 -1.32 -0.95 114.58 120.61 2kby h GLU 23 Ca 0.44 -0.18 -0.00 0.00 -1.00 0.00 0.00 59.36 58.62 2kby h GLU 23 Cb 0.47 -0.04 -0.00 0.00 0.50 0.00 0.00 28.75 29.68 2kby h GLU 23 CO -0.21 0.70 0.05 0.66 -1.00 0.00 0.00 179.01 179.22 2kby h SER 24 N 0.30 0.13 -0.35 1.42 4.64 -0.79 0.36 113.55 119.26 2kby h SER 24 Ca 0.08 -0.10 -0.03 0.00 -0.47 0.00 0.00 61.79 61.27 2kby h SER 24 Cb 0.49 -0.03 -0.02 0.00 -0.31 0.00 0.00 62.40 62.53 2kby h SER 24 CO 0.02 0.20 0.12 -0.07 -0.87 0.00 0.00 176.83 176.23 2kby h LEU 25 N 0.05 0.50 -0.39 5.97 3.38 -1.02 -0.63 115.31 123.17 2kby h LEU 25 Ca 0.04 -0.19 -0.09 0.00 0.09 0.00 0.00 57.88 57.72 2kby h LEU 25 Cb 0.10 -0.13 -0.01 0.00 0.09 0.00 0.00 40.66 40.70 2kby h LEU 25 CO -0.01 0.56 -0.12 -0.33 0.09 0.00 0.00 178.44 178.64 2kby h GLU 26 N 0.42 0.77 -0.07 1.13 5.08 -1.11 -2.99 114.58 117.81 2kby h GLU 26 Ca 0.11 -0.30 -0.06 0.00 -1.00 0.00 0.00 59.36 58.11 2kby h GLU 26 Cb 0.23 -0.04 -0.01 0.00 0.50 0.00 0.00 28.75 29.43 2kby h GLU 26 CO -0.01 0.92 -0.25 -0.07 -1.00 0.00 0.00 179.01 178.60 2kby h LEU 27 N 0.58 0.12 -0.85 1.33 3.38 -0.20 -2.56 115.31 117.10 2kby h LEU 27 Ca 0.10 -0.03 0.00 0.00 0.09 0.00 0.00 57.88 58.03 2kby h LEU 27 Cb 0.64 -0.03 0.00 0.00 0.09 0.00 0.00 40.66 41.36 2kby h LEU 27 CO 0.04 0.38 0.16 0.80 0.09 0.00 0.00 178.44 179.91 2kby n MET 28 N -4.20 0.08 0.06 1.13 1.56 -0.25 -0.26 117.12 115.25 2kby n MET 28 Ca -0.01 0.55 0.04 0.00 -0.27 0.00 0.00 57.70 58.00 2kby n MET 28 Cb 0.33 -1.94 -0.05 0.00 2.15 0.00 0.00 33.22 33.71 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 -1.96 0.61 -0.06 2.12 0.28 -0.96 -3.95 120.64 116.72 2kby n GLU 29 Ca -0.01 0.19 0.11 0.00 -0.16 0.00 0.00 57.16 57.30 2kby n GLU 29 Cb 0.18 -1.82 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 -2.82 1.57 -4.65 -1.84 -0.00 0.64 -4.79 117.00 105.11 2kby n LEU 30 Ca -0.06 -0.63 -0.37 0.00 -0.00 0.00 0.00 56.01 54.94 2kby n LEU 30 Cb 0.74 -0.08 -0.09 0.00 -0.00 0.00 0.00 43.42 43.99 2kby n LEU 30 CO 0.42 0.32 -0.12 0.54 -0.00 0.00 0.00 177.39 178.55 2kby s VAL 31 N -1.83 5.32 -0.04 1.47 0.11 -1.18 -5.02 120.40 119.22 2kby s VAL 31 Ca 0.33 0.28 -0.40 0.00 -2.93 0.00 0.00 61.98 59.26 2kby s VAL 31 Cb 0.18 -3.55 -0.20 0.00 -1.53 0.00 0.00 36.38 31.28 2kby s VAL 31 CO 0.27 0.30 1.16 -2.65 -3.33 0.00 0.00 175.10 170.86 2kby n PRO 32 N 4.52 0.15 -0.27 1.54 -0.02 -1.26 -4.77 135.00 134.89 2kby n PRO 32 Ca -0.13 0.05 0.08 0.00 -2.02 0.00 0.00 63.50 61.48 2kby n PRO 32 Cb 0.52 -1.57 0.22 0.00 -0.02 0.00 0.00 33.50 32.64 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 3.43 0.24 -0.72 -0.52 4.15 -1.94 -0.02 115.11 119.74 2kby h GLN 33 Ca -0.50 -0.01 0.20 0.00 0.77 0.00 0.00 58.65 59.11 2kby h GLN 33 Cb 1.41 -0.05 -0.03 0.00 0.21 0.00 0.00 27.48 29.02 2kby h GLN 33 CO 0.70 0.16 0.51 -1.35 -1.93 0.00 0.00 178.83 176.92 2kby h PRO 34 N 0.24 0.03 0.04 -2.39 0.11 -2.00 -0.27 132.00 127.76 2kby h PRO 34 Ca 0.46 -0.00 -0.23 0.00 0.11 0.00 0.00 66.00 66.34 2kby h PRO 34 Cb 0.85 -0.01 -0.00 0.00 0.11 0.00 0.00 31.00 31.95 2kby h PRO 34 CO -0.57 0.02 -1.02 -0.07 -0.21 0.00 0.00 178.00 176.14 2kby h LEU 35 N 0.03 0.43 -0.37 2.35 3.38 -1.33 -2.85 115.31 116.95 2kby h LEU 35 Ca 0.34 -0.38 -0.15 0.00 0.09 0.00 0.00 57.88 57.78 2kby h LEU 35 Cb 1.33 -0.13 -0.01 0.00 0.09 0.00 0.00 40.66 41.94 2kby h LEU 35 CO -0.01 1.21 -0.35 0.58 0.09 0.00 0.00 178.44 179.96 2kby h VAL 36 N 0.15 1.28 -0.37 1.22 2.07 -0.97 -2.08 116.25 117.55 2kby h VAL 36 Ca -0.09 -1.52 0.00 0.00 0.82 0.00 0.00 66.70 65.91 2kby h VAL 36 Cb 1.69 1.41 -0.02 0.00 -1.52 0.00 0.00 31.29 32.85 2kby h VAL 36 CO 0.17 0.51 0.24 0.44 0.02 0.00 0.00 177.57 178.94 2kby h ASP 37 N 0.70 0.43 -0.57 0.57 3.32 -1.38 -0.52 116.42 118.97 2kby h ASP 37 Ca 0.06 -0.02 0.00 0.00 0.02 0.00 0.00 57.03 57.09 2kby h ASP 37 Cb 0.94 -0.11 -0.03 0.00 0.22 0.00 0.00 39.33 40.35 2kby h ASP 37 CO 0.09 0.32 0.37 -1.28 -1.72 0.00 0.00 179.24 177.02 2kby h SER 38 N 0.49 0.66 -0.30 6.45 0.87 -1.41 -2.15 113.55 118.16 2kby h SER 38 Ca 0.13 -0.03 -0.01 0.00 -1.23 0.00 0.00 61.79 60.66 2kby h SER 38 Cb -0.04 -0.16 -0.01 0.00 -0.44 0.00 0.00 62.40 61.74 2kby h SER 38 CO -0.03 0.49 0.15 0.22 -0.53 0.00 0.00 176.83 177.13 2kby h TYR 39 N 0.77 0.42 -0.66 2.24 3.20 -1.10 -1.91 116.97 119.94 2kby h TYR 39 Ca 0.21 -0.02 0.11 0.00 3.14 0.00 0.00 58.73 62.17 2kby h TYR 39 Cb -0.07 -0.13 -0.04 0.00 1.54 0.00 0.00 36.73 38.02 2kby h TYR 39 CO -0.03 0.37 0.44 0.00 -1.64 0.00 0.00 178.16 177.30 2kby h ARG 40 N 0.35 0.42 -0.03 1.82 3.08 -0.82 0.29 114.38 119.50 2kby h ARG 40 Ca 0.10 -0.03 -0.01 0.00 0.07 0.00 0.00 59.98 60.12 2kby h ARG 40 Cb 0.10 -0.09 -0.00 0.00 0.08 0.00 0.00 29.97 30.06 2kby h ARG 40 CO -0.01 0.28 -0.01 0.37 -1.07 0.00 0.00 179.97 179.52 2kby h GLN 41 N 0.43 0.06 -0.00 0.04 4.15 -0.91 0.37 115.11 119.25 2kby h GLN 41 Ca 0.31 -0.03 0.00 0.00 0.77 0.00 0.00 58.65 59.71 2kby h GLN 41 Cb 0.63 -0.00 -0.00 0.00 0.21 0.00 0.00 27.48 28.32 2kby h GLN 41 CO -0.09 0.46 0.00 0.37 -1.93 0.00 0.00 178.83 177.64 2kby h GLN 42 N -0.34 0.00 0.24 1.69 4.15 -0.35 -1.15 115.11 119.35 2kby h GLN 42 Ca 0.01 0.00 -0.33 0.00 0.77 0.00 0.00 58.65 59.10 2kby h GLN 42 Cb 0.44 0.00 0.04 0.00 0.21 0.00 0.00 27.48 28.17 2kby h GLN 42 CO 0.00 0.00 -1.43 0.37 -1.93 0.00 0.00 178.83 175.84 2kby h GLN 43 N 0.00 0.55 0.00 1.69 4.15 -0.18 -3.21 115.11 118.11 2kby h GLN 43 Ca 0.00 -0.91 -0.00 0.00 0.77 0.00 0.00 58.65 58.51 2kby h GLN 43 Cb 0.01 0.33 -0.00 0.00 0.21 0.00 0.00 27.48 28.04 2kby h GLN 43 CO -0.00 1.43 -0.01 1.96 -1.93 0.00 0.00 178.83 180.28 2kby h GLN 44 N 0.15 0.00 -0.20 1.69 1.08 0.32 -2.26 115.11 115.90 2kby h GLN 44 Ca -0.25 0.00 0.04 0.00 -1.45 0.00 0.00 58.65 56.99 2kby h GLN 44 Cb 2.12 0.00 -0.04 0.00 -0.05 0.00 0.00 27.48 29.52 2kby h GLN 44 CO 0.27 0.01 -0.03 1.25 -0.95 0.00 0.00 178.83 179.38 2kby h LEU 45 N 0.00 -0.15 -6.78 1.46 5.85 -1.44 -3.36 115.31 110.90 2kby h LEU 45 Ca -0.00 0.05 -0.60 0.00 0.84 0.00 0.00 57.88 58.18 2kby h LEU 45 Cb 0.03 0.11 -0.40 0.00 0.37 0.00 0.00 40.66 40.78 2kby h LEU 45 CO 0.00 -0.05 -0.80 -0.76 -0.34 0.00 0.00 178.44 176.50 2kby s LEU 46 N -10.38 2.01 -0.16 2.25 1.43 -0.85 -4.97 118.68 108.00 2kby s LEU 46 Ca -0.13 -2.56 -0.00 0.00 -1.03 0.00 0.00 54.13 50.40 2kby s LEU 46 Cb 0.10 -0.76 0.13 0.00 0.03 0.00 0.00 46.19 45.69 2kby s LEU 46 CO 0.68 -0.26 1.85 1.67 0.23 0.00 0.00 176.35 180.52 2kby n GLN 47 N 3.59 1.41 0.00 1.70 0.00 -1.21 -4.94 117.38 117.92 2kby n GLN 47 Ca 0.13 -0.82 0.00 0.00 -0.00 0.00 0.00 57.00 56.31 2kby n GLN 47 Cb 0.37 -1.32 0.00 0.00 0.00 0.00 0.00 30.24 29.29 2kby n GLN 47 CO 0.00 0.00 0.00 2.89 0.00 0.00 0.00 177.06 179.95