#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 8.00 -1.26 -4.95 116.55 111.73 2kby n ASP 3 Ca 0.00 0.00 -0.38 0.00 0.71 0.00 0.00 54.79 55.12 2kby n ASP 3 Cb 0.36 0.00 -0.02 0.00 -0.02 0.00 0.00 41.12 41.44 2kby n ASP 3 CO 0.00 0.00 0.00 -0.89 -0.39 0.00 0.00 177.20 175.92 2kby s THR 4 N 0.00 3.28 0.24 -3.53 2.01 -1.26 -5.04 115.64 111.34 2kby s THR 4 Ca 0.00 1.02 0.06 0.00 0.31 0.00 0.00 61.69 63.08 2kby s THR 4 Cb 0.00 -3.55 -0.05 0.00 0.01 0.00 0.00 72.50 68.91 2kby s THR 4 CO 0.00 0.05 -0.08 -0.31 -0.69 0.00 0.00 174.62 173.59 2kby s TYR 5 N -1.50 1.78 -0.14 4.92 2.02 -1.26 -5.14 117.35 118.02 2kby s TYR 5 Ca 0.59 -0.70 -0.00 0.00 -0.37 0.00 0.00 57.07 56.58 2kby s TYR 5 Cb -0.28 -0.96 -0.01 0.00 -0.40 0.00 0.00 41.96 40.31 2kby s TYR 5 CO 0.35 0.24 -0.13 0.71 -1.57 0.00 0.00 175.55 175.15 2kby s TYR 6 N -3.08 2.82 -0.30 2.71 2.02 -1.26 -5.09 117.35 115.16 2kby s TYR 6 Ca 0.27 -0.74 -0.03 0.00 -0.37 0.00 0.00 57.07 56.19 2kby s TYR 6 Cb 0.03 -1.87 0.04 0.00 -0.40 0.00 0.00 41.96 39.76 2kby s TYR 6 CO 0.09 -0.29 0.02 -1.17 -1.57 0.00 0.00 175.55 172.64 2kby s LEU 7 N 0.52 3.89 -0.38 -1.29 2.96 -1.26 -5.07 118.68 118.05 2kby s LEU 7 Ca -0.09 -1.15 -0.25 0.00 -0.22 0.00 0.00 54.13 52.43 2kby s LEU 7 Cb -0.16 -1.75 0.01 0.00 0.50 0.00 0.00 46.19 44.80 2kby s LEU 7 CO 0.04 -0.25 0.86 -1.58 -1.32 0.00 0.00 176.35 174.10 2kby s GLN 8 N 1.31 3.74 -0.10 1.98 0.74 -1.26 -5.01 119.66 121.07 2kby s GLN 8 Ca -0.03 0.38 0.03 0.00 0.05 0.00 0.00 55.36 55.78 2kby s GLN 8 Cb -0.19 -3.83 0.01 0.00 1.10 0.00 0.00 33.01 30.10 2kby s GLN 8 CO -0.00 -0.95 -0.18 0.08 -0.55 0.00 0.00 175.29 173.68 2kby s VAL 9 N 3.35 1.70 0.03 1.34 1.01 -1.26 -5.12 120.40 121.44 2kby s VAL 9 Ca 0.35 -0.78 -0.08 0.00 0.00 0.00 0.00 61.98 61.47 2kby s VAL 9 Cb -0.12 -1.51 -0.05 0.00 0.00 0.00 0.00 36.38 34.70 2kby s VAL 9 CO 0.19 0.48 0.31 -0.60 0.00 0.00 0.00 175.10 175.48 2kby s ARG 10 N 0.72 3.64 0.00 2.72 3.00 -1.26 -4.73 118.95 123.04 2kby s ARG 10 Ca -0.11 0.00 0.00 0.00 -1.00 0.00 0.00 55.73 54.62 2kby s ARG 10 Cb -0.16 -3.06 0.00 0.00 0.00 0.00 0.00 34.95 31.73 2kby s ARG 10 CO 0.02 0.62 0.00 0.41 0.00 0.00 0.00 175.30 176.36 2kby n GLY 11 N 1.07 -2.31 0.14 8.12 0.00 -1.26 -4.49 105.19 106.46 2kby n GLY 11 Ca -0.10 -0.99 -0.06 0.00 0.00 0.00 0.00 46.02 44.87 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 0.05 -0.63 1.61 9.65 -1.99 -0.90 114.38 122.17 2kby h ARG 12 Ca 0.00 -0.00 0.12 0.00 -1.10 0.00 0.00 59.98 58.99 2kby h ARG 12 Cb 0.00 -0.01 -0.09 0.00 -1.39 0.00 0.00 29.97 28.48 2kby h ARG 12 CO 0.00 0.03 0.17 1.49 2.80 0.00 0.00 179.97 184.46 2kby h GLU 13 N 0.05 0.30 -0.39 0.20 4.81 -1.99 0.30 114.58 117.85 2kby h GLU 13 Ca 0.15 -0.02 -0.09 0.00 -0.13 0.00 0.00 59.36 59.28 2kby h GLU 13 Cb 0.22 -0.07 -0.01 0.00 0.63 0.00 0.00 28.75 29.52 2kby h GLU 13 CO -0.29 0.20 -0.10 -0.91 -0.73 0.00 0.00 179.01 177.18 2kby h ASN 14 N 0.31 0.76 -0.05 1.04 4.21 -1.67 -2.62 115.58 117.56 2kby h ASN 14 Ca 0.33 -0.37 -0.01 0.00 1.21 0.00 0.00 56.30 57.47 2kby h ASN 14 Cb 0.49 -0.21 -0.00 0.00 -1.12 0.00 0.00 38.32 37.48 2kby h ASN 14 CO -0.39 0.95 0.01 0.15 -1.29 0.00 0.00 177.43 176.85 2kby h PHE 15 N 0.56 0.08 -0.85 1.19 3.57 -0.27 -1.88 116.94 119.34 2kby h PHE 15 Ca 0.10 -0.01 0.06 0.00 3.53 0.00 0.00 57.97 61.64 2kby h PHE 15 Cb 0.62 -0.02 -0.05 0.00 2.79 0.00 0.00 35.95 39.29 2kby h PHE 15 CO 0.05 0.31 0.56 0.93 -2.23 0.00 0.00 178.31 177.93 2kby h GLU 16 N -0.17 0.94 -0.32 1.11 4.39 -0.47 0.94 114.58 121.01 2kby h GLU 16 Ca 0.01 -0.06 -0.08 0.00 0.34 0.00 0.00 59.36 59.58 2kby h GLU 16 Cb 0.27 -0.21 -0.01 0.00 -0.10 0.00 0.00 28.75 28.70 2kby h GLU 16 CO 0.00 0.62 -0.12 0.82 -1.16 0.00 0.00 179.01 179.18 2kby h ILE 17 N 0.97 1.29 0.00 3.13 2.04 -1.36 -1.39 117.51 122.19 2kby h ILE 17 Ca 0.36 -1.20 -0.15 0.00 1.00 0.00 0.00 64.86 64.87 2kby h ILE 17 Cb 0.17 1.40 -0.02 0.00 -0.74 0.00 0.00 36.82 37.64 2kby h ILE 17 CO -0.13 0.39 -0.72 -0.07 0.00 0.00 0.00 178.15 177.63 2kby h LEU 18 N 0.41 0.00 -0.09 1.44 3.38 -0.77 -2.54 115.31 117.14 2kby h LEU 18 Ca 0.07 0.00 -0.17 0.00 0.09 0.00 0.00 57.88 57.87 2kby h LEU 18 Cb 0.63 0.00 0.01 0.00 0.09 0.00 0.00 40.66 41.39 2kby h LEU 18 CO 0.04 0.72 -0.62 -0.03 0.09 0.00 0.00 178.44 178.64 2kby h MET 19 N 0.00 0.57 -0.13 1.13 4.05 0.98 0.50 114.93 122.04 2kby h MET 19 Ca -0.01 -0.50 -0.05 0.00 -0.28 0.00 0.00 59.70 58.87 2kby h MET 19 Cb 1.32 0.11 -0.01 0.00 -0.80 0.00 0.00 31.60 32.23 2kby h MET 19 CO 0.09 1.13 -0.12 -0.22 0.23 0.00 0.00 176.91 178.01 2kby h LYS 20 N 0.19 0.21 -0.19 0.39 3.64 -1.29 -1.52 116.57 118.00 2kby h LYS 20 Ca -0.05 -0.04 -0.17 0.00 -1.27 0.00 0.00 60.65 59.12 2kby h LYS 20 Cb 1.27 -0.03 0.00 0.00 -0.41 0.00 0.00 32.23 33.07 2kby h LYS 20 CO 0.13 0.34 -0.53 1.25 -2.27 0.00 0.00 179.45 178.36 2kby h LEU 21 N 0.20 0.80 -1.12 5.20 6.46 -1.22 -0.87 115.31 124.76 2kby h LEU 21 Ca 0.04 -0.58 0.06 0.00 -0.12 0.00 0.00 57.88 57.28 2kby h LEU 21 Cb 0.35 -0.23 -0.06 0.00 -0.73 0.00 0.00 40.66 39.99 2kby h LEU 21 CO 0.02 1.24 0.60 0.50 -0.62 0.00 0.00 178.44 180.18 2kby h LYS 22 N 0.40 1.03 -0.18 1.25 3.64 0.68 0.18 116.57 123.57 2kby h LYS 22 Ca -0.01 -0.06 -0.05 0.00 -1.27 0.00 0.00 60.65 59.26 2kby h LYS 22 Cb 1.15 -0.23 -0.01 0.00 -0.41 0.00 0.00 32.23 32.74 2kby h LYS 22 CO 0.11 0.68 -0.06 0.93 -2.27 0.00 0.00 179.45 178.85 2kby h GLU 23 N 1.06 0.36 -0.48 1.90 5.08 -1.10 -0.90 114.58 120.50 2kby h GLU 23 Ca 0.40 -0.15 0.00 0.00 -1.00 0.00 0.00 59.36 58.61 2kby h GLU 23 Cb 0.19 -0.02 -0.02 0.00 0.50 0.00 0.00 28.75 29.40 2kby h GLU 23 CO -0.15 0.64 0.31 0.66 -1.00 0.00 0.00 179.01 179.48 2kby h SER 24 N 0.06 0.56 -0.21 1.42 4.64 -0.06 0.53 113.55 120.48 2kby h SER 24 Ca 0.04 -0.02 -0.04 0.00 -0.47 0.00 0.00 61.79 61.30 2kby h SER 24 Cb 0.52 -0.14 -0.01 0.00 -0.31 0.00 0.00 62.40 62.47 2kby h SER 24 CO 0.02 0.41 -0.03 -0.07 -0.87 0.00 0.00 176.83 176.30 2kby h LEU 25 N 0.65 0.40 -0.60 5.97 3.38 -0.71 -0.76 115.31 123.64 2kby h LEU 25 Ca 0.18 -0.34 -0.15 0.00 0.09 0.00 0.00 57.88 57.65 2kby h LEU 25 Cb -0.06 -0.11 -0.01 0.00 0.09 0.00 0.00 40.66 40.57 2kby h LEU 25 CO -0.04 0.65 -0.50 -0.33 0.09 0.00 0.00 178.44 178.31 2kby h GLU 26 N 0.14 0.51 0.00 1.13 5.08 -1.07 -2.87 114.58 117.51 2kby h GLU 26 Ca 0.06 -0.30 -0.05 0.00 -1.00 0.00 0.00 59.36 58.07 2kby h GLU 26 Cb 0.46 0.03 -0.01 0.00 0.50 0.00 0.00 28.75 29.73 2kby h GLU 26 CO 0.02 0.90 -0.22 -0.07 -1.00 0.00 0.00 179.01 178.64 2kby h LEU 27 N 0.40 0.00 -0.48 1.33 3.38 0.12 -2.67 115.31 117.40 2kby h LEU 27 Ca 0.02 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.99 2kby h LEU 27 Cb 1.03 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.78 2kby h LEU 27 CO 0.09 0.22 0.00 0.80 0.09 0.00 0.00 178.44 179.64 2kby n MET 28 N -3.35 0.08 0.09 1.13 1.56 -0.30 -1.23 117.12 115.10 2kby n MET 28 Ca 0.00 0.44 0.10 0.00 -0.27 0.00 0.00 57.70 57.97 2kby n MET 28 Cb 0.44 -1.69 -0.01 0.00 2.15 0.00 0.00 33.22 34.11 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 -1.85 0.61 -0.14 2.12 0.28 -1.01 -3.96 120.64 116.70 2kby n GLU 29 Ca 0.01 0.12 0.12 0.00 -0.16 0.00 0.00 57.16 57.25 2kby n GLU 29 Cb 0.12 -1.82 0.25 0.00 1.43 0.00 0.00 31.44 31.41 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 -2.68 2.95 -4.63 -1.84 -0.00 -0.37 -4.84 117.00 105.59 2kby n LEU 30 Ca -0.01 -1.23 -0.37 0.00 -0.00 0.00 0.00 56.01 54.40 2kby n LEU 30 Cb 0.58 -0.18 -0.10 0.00 -0.00 0.00 0.00 43.42 43.72 2kby n LEU 30 CO 0.40 0.61 -0.18 0.54 -0.00 0.00 0.00 177.39 178.77 2kby s VAL 31 N -1.64 5.32 -0.24 1.47 0.11 -1.15 -5.02 120.40 119.26 2kby s VAL 31 Ca 0.36 0.17 -0.43 0.00 -2.93 0.00 0.00 61.98 59.15 2kby s VAL 31 Cb 0.21 -3.50 -0.20 0.00 -1.53 0.00 0.00 36.38 31.36 2kby s VAL 31 CO 0.30 0.32 1.34 -2.65 -3.33 0.00 0.00 175.10 171.08 2kby n PRO 32 N 4.53 0.05 -0.19 1.54 -0.02 -1.26 -4.77 135.00 134.88 2kby n PRO 32 Ca -0.15 0.02 -0.00 0.00 -2.02 0.00 0.00 63.50 61.35 2kby n PRO 32 Cb 0.52 -1.52 0.10 0.00 -0.02 0.00 0.00 33.50 32.57 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 4.06 0.30 -0.15 -0.52 4.15 -1.93 -1.24 115.11 119.78 2kby h GLN 33 Ca -0.48 -0.02 0.04 0.00 0.77 0.00 0.00 58.65 58.97 2kby h GLN 33 Cb 1.40 -0.07 -0.01 0.00 0.21 0.00 0.00 27.48 29.01 2kby h GLN 33 CO 0.81 0.20 0.12 -1.35 -1.93 0.00 0.00 178.83 176.69 2kby h PRO 34 N 0.31 0.00 0.02 -2.39 0.11 -2.00 -0.47 132.00 127.58 2kby h PRO 34 Ca 0.29 0.00 -0.21 0.00 0.11 0.00 0.00 66.00 66.19 2kby h PRO 34 Cb 0.39 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 31.48 2kby h PRO 34 CO -0.34 0.00 -0.99 1.25 -0.21 0.00 0.00 178.00 177.71 2kby h LEU 35 N 0.00 0.11 -0.27 2.35 5.85 -1.59 -2.83 115.31 118.93 2kby h LEU 35 Ca 0.07 -0.11 -0.10 0.00 0.84 0.00 0.00 57.88 58.58 2kby h LEU 35 Cb 0.32 -0.04 -0.00 0.00 0.37 0.00 0.00 40.66 41.31 2kby h LEU 35 CO -0.00 1.03 -0.24 0.58 -0.34 0.00 0.00 178.44 179.47 2kby h VAL 36 N 0.03 1.31 -0.84 1.05 2.07 -0.59 -2.62 116.25 116.66 2kby h VAL 36 Ca -0.04 -1.39 0.05 0.00 0.82 0.00 0.00 66.70 66.14 2kby h VAL 36 Cb 1.71 1.60 -0.06 0.00 -1.52 0.00 0.00 31.29 33.02 2kby h VAL 36 CO 0.14 0.44 0.53 -0.78 0.02 0.00 0.00 177.57 177.92 2kby h ASP 37 N 0.37 0.85 -0.66 0.57 3.58 -1.32 -0.82 116.42 118.99 2kby h ASP 37 Ca 0.05 0.01 0.02 0.00 0.42 0.00 0.00 57.03 57.52 2kby h ASP 37 Cb 0.80 -0.17 -0.04 0.00 1.72 0.00 0.00 39.33 41.63 2kby h ASP 37 CO 0.06 0.56 0.43 -1.28 -2.88 0.00 0.00 179.24 176.13 2kby h SER 38 N 0.99 0.73 -0.39 2.28 0.87 -1.35 -2.15 113.55 114.52 2kby h SER 38 Ca 0.35 -0.01 -0.00 0.00 -1.23 0.00 0.00 61.79 60.90 2kby h SER 38 Cb 0.09 -0.17 -0.02 0.00 -0.44 0.00 0.00 62.40 61.86 2kby h SER 38 CO -0.15 0.52 0.24 0.22 -0.53 0.00 0.00 176.83 177.14 2kby h TYR 39 N 0.86 0.51 -0.92 2.24 3.20 -0.96 -2.46 116.97 119.44 2kby h TYR 39 Ca 0.25 0.00 0.11 0.00 3.14 0.00 0.00 58.73 62.23 2kby h TYR 39 Cb -0.06 -0.17 -0.07 0.00 1.54 0.00 0.00 36.73 37.98 2kby h TYR 39 CO -0.03 0.35 0.59 0.00 -1.64 0.00 0.00 178.16 177.43 2kby h ARG 40 N 0.52 0.86 -0.11 1.82 3.08 -0.70 -0.63 114.38 119.22 2kby h ARG 40 Ca 0.14 -0.05 0.01 0.00 0.07 0.00 0.00 59.98 60.15 2kby h ARG 40 Cb -0.02 -0.19 -0.01 0.00 0.08 0.00 0.00 29.97 29.83 2kby h ARG 40 CO -0.03 0.57 0.04 1.96 -1.07 0.00 0.00 179.97 181.44 2kby h GLN 41 N 0.89 0.09 -0.02 0.04 4.20 -0.94 0.18 115.11 119.55 2kby h GLN 41 Ca 0.44 -0.01 0.01 0.00 0.06 0.00 0.00 58.65 59.14 2kby h GLN 41 Cb 0.46 -0.02 -0.00 0.00 0.30 0.00 0.00 27.48 28.22 2kby h GLN 41 CO -0.20 0.06 0.02 0.37 -0.67 0.00 0.00 178.83 178.42 2kby h GLN 42 N 0.10 0.00 0.14 1.46 4.15 -0.91 -1.37 115.11 118.68 2kby h GLN 42 Ca 0.05 0.00 -0.25 0.00 0.77 0.00 0.00 58.65 59.22 2kby h GLN 42 Cb 0.02 0.00 0.03 0.00 0.21 0.00 0.00 27.48 27.74 2kby h GLN 42 CO -0.05 0.00 -1.06 0.37 -1.93 0.00 0.00 178.83 176.16 2kby h GLN 43 N 0.00 0.47 -0.00 1.69 -0.00 -0.04 -3.21 115.11 114.01 2kby h GLN 43 Ca 0.01 -0.70 0.00 0.00 -0.00 0.00 0.00 58.65 57.96 2kby h GLN 43 Cb 0.05 0.24 -0.00 0.00 0.00 0.00 0.00 27.48 27.77 2kby h GLN 43 CO -0.00 1.31 0.01 0.37 0.00 0.00 0.00 178.83 180.52 2kby h GLN 44 N -0.03 0.00 -0.23 1.69 5.75 0.40 -1.86 115.11 120.83 2kby h GLN 44 Ca -0.17 0.00 0.05 0.00 -0.15 0.00 0.00 58.65 58.37 2kby h GLN 44 Cb 1.80 0.00 -0.05 0.00 1.07 0.00 0.00 27.48 30.30 2kby h GLN 44 CO 0.20 0.00 -0.06 1.25 -2.65 0.00 0.00 178.83 177.57 2kby h LEU 45 N 0.00 -0.23 0.00 -2.39 5.85 -1.45 -3.41 115.31 113.68 2kby h LEU 45 Ca 0.00 0.07 0.00 0.00 0.84 0.00 0.00 57.88 58.79 2kby h LEU 45 Cb 0.02 0.15 0.00 0.00 0.37 0.00 0.00 40.66 41.20 2kby h LEU 45 CO -0.00 -0.08 0.00 0.18 -0.34 0.00 0.00 178.44 178.20 2kby n LEU 46 N -5.22 0.00 -3.09 2.25 7.99 -0.89 -5.01 117.00 113.03 2kby n LEU 46 Ca -0.02 0.00 -0.23 0.00 -0.01 0.00 0.00 56.01 55.76 2kby n LEU 46 Cb 0.14 -0.10 0.03 0.00 -0.11 0.00 0.00 43.42 43.38 2kby n LEU 46 CO 0.22 -0.27 0.01 1.67 -1.51 0.00 0.00 177.39 177.51 2kby n GLN 47 N -1.90 -4.94 0.00 3.23 0.00 -0.75 -5.12 117.38 107.90 2kby n GLN 47 Ca 0.00 0.87 0.00 0.00 -0.00 0.00 0.00 57.00 57.87 2kby n GLN 47 Cb 0.00 -5.73 0.00 0.00 0.00 0.00 0.00 30.24 24.51 2kby n GLN 47 CO 0.00 0.00 0.00 2.89 0.00 0.00 0.00 177.06 179.95