#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 -5.14 120.64 113.28 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 -4.97 116.55 113.63 2kby n ASP 3 Ca 0.00 0.00 -0.38 0.00 -0.53 0.00 0.00 54.79 53.88 2kby n ASP 3 Cb 0.28 0.00 -0.03 0.00 -0.64 0.00 0.00 41.12 40.73 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 0.00 3.36 0.27 -3.53 2.01 -1.26 -5.04 115.64 111.44 2kby s THR 4 Ca 0.00 1.17 0.06 0.00 0.31 0.00 0.00 61.69 63.23 2kby s THR 4 Cb 0.00 -3.67 -0.06 0.00 0.01 0.00 0.00 72.50 68.78 2kby s THR 4 CO 0.00 0.13 -0.06 -0.31 -0.69 0.00 0.00 174.62 173.70 2kby s TYR 5 N -1.41 1.89 -0.15 4.92 2.02 -1.26 -5.14 117.35 118.22 2kby s TYR 5 Ca 0.54 -0.72 -0.00 0.00 -0.37 0.00 0.00 57.07 56.52 2kby s TYR 5 Cb -0.29 -1.07 -0.01 0.00 -0.40 0.00 0.00 41.96 40.19 2kby s TYR 5 CO 0.37 0.24 -0.13 0.71 -1.57 0.00 0.00 175.55 175.17 2kby s TYR 6 N -3.06 2.81 -0.33 2.71 2.02 -1.26 -5.09 117.35 115.15 2kby s TYR 6 Ca 0.29 -0.87 -0.05 0.00 -0.37 0.00 0.00 57.07 56.07 2kby s TYR 6 Cb 0.04 -1.89 0.05 0.00 -0.40 0.00 0.00 41.96 39.75 2kby s TYR 6 CO 0.11 -0.38 0.07 -1.17 -1.57 0.00 0.00 175.55 172.62 2kby s LEU 7 N 0.69 4.20 -0.50 -1.29 2.96 -1.26 -5.06 118.68 118.42 2kby s LEU 7 Ca -0.07 -1.22 -0.28 0.00 -0.22 0.00 0.00 54.13 52.35 2kby s LEU 7 Cb -0.15 -1.81 0.03 0.00 0.50 0.00 0.00 46.19 44.75 2kby s LEU 7 CO 0.02 -0.31 1.08 -1.58 -1.32 0.00 0.00 176.35 174.24 2kby s GLN 8 N 1.34 3.61 -0.17 1.98 0.74 -1.26 -4.99 119.66 120.91 2kby s GLN 8 Ca -0.03 0.35 -0.01 0.00 0.05 0.00 0.00 55.36 55.72 2kby s GLN 8 Cb -0.20 -3.94 -0.00 0.00 1.10 0.00 0.00 33.01 29.97 2kby s GLN 8 CO 0.01 -1.41 -0.13 0.08 -0.55 0.00 0.00 175.29 173.29 2kby s VAL 9 N 4.34 2.82 -0.10 1.34 1.01 -1.26 -5.10 120.40 123.44 2kby s VAL 9 Ca 0.43 -0.71 -0.12 0.00 0.00 0.00 0.00 61.98 61.58 2kby s VAL 9 Cb -0.08 -2.21 -0.05 0.00 0.00 0.00 0.00 36.38 34.04 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 0.92 3.95 0.00 2.72 3.00 -1.26 -4.73 118.95 123.55 2kby s ARG 10 Ca -0.03 0.12 0.00 0.00 -1.00 0.00 0.00 55.73 54.82 2kby s ARG 10 Cb -0.15 -3.31 0.00 0.00 0.00 0.00 0.00 34.95 31.49 2kby s ARG 10 CO -0.01 0.51 0.00 0.41 0.00 0.00 0.00 175.30 176.21 2kby n GLY 11 N 2.58 0.17 0.15 8.12 0.00 -1.26 -4.62 105.19 110.33 2kby n GLY 11 Ca -0.15 -1.19 -0.06 0.00 0.00 0.00 0.00 46.02 44.63 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 0.04 -0.52 1.61 9.65 -1.99 -0.93 114.38 122.25 2kby h ARG 12 Ca 0.00 -0.00 0.09 0.00 -1.10 0.00 0.00 59.98 58.97 2kby h ARG 12 Cb 0.00 -0.01 -0.07 0.00 -1.39 0.00 0.00 29.97 28.50 2kby h ARG 12 CO 0.00 0.03 0.10 1.49 2.80 0.00 0.00 179.97 184.38 2kby h GLU 13 N 0.04 0.22 -0.37 0.20 4.57 -2.00 0.10 114.58 117.35 2kby h GLU 13 Ca 0.17 -0.01 -0.06 0.00 -1.18 0.00 0.00 59.36 58.28 2kby h GLU 13 Cb 0.24 -0.05 -0.01 0.00 -0.16 0.00 0.00 28.75 28.77 2kby h GLU 13 CO -0.32 0.15 0.01 -0.91 -1.18 0.00 0.00 179.01 176.76 2kby h ASN 14 N 0.23 0.63 -0.51 1.04 2.35 -1.74 -2.50 115.58 115.08 2kby h ASN 14 Ca 0.26 -0.30 0.04 0.00 -0.55 0.00 0.00 56.30 55.75 2kby h ASN 14 Cb 0.36 -0.17 -0.04 0.00 0.05 0.00 0.00 38.32 38.52 2kby h ASN 14 CO -0.35 0.78 0.27 0.15 -1.65 0.00 0.00 177.43 176.63 2kby h PHE 15 N 0.47 0.50 -0.40 1.19 3.57 -0.45 -1.25 116.94 120.56 2kby h PHE 15 Ca 0.11 0.02 -0.02 0.00 3.53 0.00 0.00 57.97 61.61 2kby h PHE 15 Cb 0.45 -0.15 -0.02 0.00 2.79 0.00 0.00 35.95 39.02 2kby h PHE 15 CO 0.04 0.25 0.17 0.93 -2.23 0.00 0.00 178.31 177.47 2kby h GLU 16 N 0.53 0.59 -0.51 1.11 4.39 -0.93 0.63 114.58 120.38 2kby h GLU 16 Ca 0.22 -0.10 -0.03 0.00 0.34 0.00 0.00 59.36 59.80 2kby h GLU 16 Cb 0.11 -0.10 -0.02 0.00 -0.10 0.00 0.00 28.75 28.64 2kby h GLU 16 CO -0.14 0.54 0.22 0.82 -1.16 0.00 0.00 179.01 179.28 2kby h ILE 17 N 0.50 1.21 -0.08 3.13 2.04 -1.17 -0.85 117.51 122.29 2kby h ILE 17 Ca 0.13 -0.63 -0.22 0.00 1.00 0.00 0.00 64.86 65.15 2kby h ILE 17 Cb 0.16 0.67 0.01 0.00 -0.74 0.00 0.00 36.82 36.91 2kby h ILE 17 CO -0.01 0.24 -0.83 -0.07 0.00 0.00 0.00 178.15 177.48 2kby h LEU 18 N 0.68 0.71 -0.05 1.44 3.38 -1.12 -2.46 115.31 117.89 2kby h LEU 18 Ca 0.17 -0.50 -0.00 0.00 0.09 0.00 0.00 57.88 57.64 2kby h LEU 18 Cb 0.17 -0.21 -0.00 0.00 0.09 0.00 0.00 40.66 40.71 2kby h LEU 18 CO -0.02 1.28 0.03 -0.03 0.09 0.00 0.00 178.44 179.79 2kby h MET 19 N 0.37 0.08 -0.64 1.13 4.05 0.42 0.70 114.93 121.05 2kby h MET 19 Ca -0.06 -0.01 0.06 0.00 -0.28 0.00 0.00 59.70 59.41 2kby h MET 19 Cb 1.45 -0.01 -0.04 0.00 -0.80 0.00 0.00 31.60 32.20 2kby h MET 19 CO 0.16 0.18 0.42 -0.22 0.23 0.00 0.00 176.91 177.67 2kby h LYS 20 N -0.04 0.62 -0.27 0.39 3.11 -1.21 -1.45 116.57 117.72 2kby h LYS 20 Ca 0.02 -0.04 -0.19 0.00 -2.81 0.00 0.00 60.65 57.63 2kby h LYS 20 Cb 0.13 -0.14 0.00 0.00 -1.00 0.00 0.00 32.23 31.22 2kby h LYS 20 CO -0.00 0.41 -0.58 1.25 -2.81 0.00 0.00 179.45 177.71 2kby h LEU 21 N 0.64 0.98 -1.10 5.20 6.46 -0.82 -2.56 115.31 124.11 2kby h LEU 21 Ca 0.27 -0.55 0.09 0.00 -0.12 0.00 0.00 57.88 57.58 2kby h LEU 21 Cb 0.26 -0.28 -0.07 0.00 -0.73 0.00 0.00 40.66 39.84 2kby h LEU 21 CO -0.08 1.35 0.61 0.50 -0.62 0.00 0.00 178.44 180.20 2kby h LYS 22 N 0.66 0.96 -0.27 1.25 3.64 0.14 0.11 116.57 123.06 2kby h LYS 22 Ca 0.00 -0.06 -0.05 0.00 -1.27 0.00 0.00 60.65 59.27 2kby h LYS 22 Cb 1.20 -0.22 -0.01 0.00 -0.41 0.00 0.00 32.23 32.79 2kby h LYS 22 CO 0.13 0.64 -0.04 1.49 -2.27 0.00 0.00 179.45 179.39 2kby h GLU 23 N 0.99 0.51 -0.15 1.90 4.81 -1.33 -1.32 114.58 119.98 2kby h GLU 23 Ca 0.44 -0.18 -0.01 0.00 -0.13 0.00 0.00 59.36 59.48 2kby h GLU 23 Cb 0.37 -0.03 -0.01 0.00 0.63 0.00 0.00 28.75 29.70 2kby h GLU 23 CO -0.20 0.70 0.05 0.66 -0.73 0.00 0.00 179.01 179.50 2kby h SER 24 N 0.27 0.22 -0.34 1.04 4.64 -0.79 -1.31 113.55 117.28 2kby h SER 24 Ca 0.07 -0.18 -0.02 0.00 -0.47 0.00 0.00 61.79 61.19 2kby h SER 24 Cb 0.50 -0.06 -0.02 0.00 -0.31 0.00 0.00 62.40 62.52 2kby h SER 24 CO 0.02 0.34 0.15 -0.07 -0.87 0.00 0.00 176.83 176.40 2kby h LEU 25 N 0.08 0.46 -0.51 5.97 3.38 -0.87 -2.35 115.31 121.46 2kby h LEU 25 Ca 0.05 -0.15 -0.06 0.00 0.09 0.00 0.00 57.88 57.81 2kby h LEU 25 Cb 0.20 -0.12 -0.02 0.00 0.09 0.00 0.00 40.66 40.81 2kby h LEU 25 CO -0.00 0.48 0.07 -0.33 0.09 0.00 0.00 178.44 178.75 2kby h GLU 26 N 0.41 0.86 0.00 1.13 5.08 -1.24 -2.87 114.58 117.95 2kby h GLU 26 Ca 0.11 -0.24 -0.03 0.00 -1.00 0.00 0.00 59.36 58.21 2kby h GLU 26 Cb 0.16 -0.10 -0.00 0.00 0.50 0.00 0.00 28.75 29.31 2kby h GLU 26 CO -0.01 0.85 -0.14 -0.07 -1.00 0.00 0.00 179.01 178.63 2kby h LEU 27 N 0.73 0.00 -0.72 1.33 3.38 -1.12 -2.93 115.31 115.98 2kby h LEU 27 Ca 0.15 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.12 2kby h LEU 27 Cb 0.42 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.17 2kby h LEU 27 CO 0.01 0.14 0.18 0.23 0.09 0.00 0.00 178.44 179.10 2kby n MET 28 N -3.86 0.07 0.07 1.13 2.81 -0.90 0.41 117.12 116.87 2kby n MET 28 Ca -0.02 0.52 0.12 0.00 -1.81 0.00 0.00 57.70 56.51 2kby n MET 28 Cb 0.24 -1.92 0.06 0.00 -0.71 0.00 0.00 33.22 30.90 2kby n MET 28 CO 0.00 0.00 0.00 -0.85 1.51 0.00 0.00 175.97 176.63 2kby n GLU 29 N -1.88 0.44 0.00 0.03 0.28 -1.10 -3.97 120.64 114.43 2kby n GLU 29 Ca -0.01 0.09 0.12 0.00 -0.16 0.00 0.00 57.16 57.20 2kby n GLU 29 Cb 0.20 -1.74 0.21 0.00 1.43 0.00 0.00 31.44 31.54 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 -2.35 1.83 -4.65 -1.84 -0.00 0.17 -4.83 117.00 105.33 2kby n LEU 30 Ca 0.01 -0.62 -0.37 0.00 -0.00 0.00 0.00 56.01 55.04 2kby n LEU 30 Cb 0.49 -0.04 -0.09 0.00 -0.00 0.00 0.00 43.42 43.78 2kby n LEU 30 CO 0.39 0.33 -0.12 0.54 -0.00 0.00 0.00 177.39 178.52 2kby s VAL 31 N -2.33 5.32 -0.20 1.47 0.11 -1.16 -5.02 120.40 118.58 2kby s VAL 31 Ca 0.25 0.28 -0.43 0.00 -2.93 0.00 0.00 61.98 59.15 2kby s VAL 31 Cb 0.19 -3.55 -0.20 0.00 -1.53 0.00 0.00 36.38 31.30 2kby s VAL 31 CO 0.47 0.31 1.32 -2.65 -3.33 0.00 0.00 175.10 171.21 2kby n PRO 32 N 4.50 0.09 -0.16 1.54 -0.02 -1.26 -4.76 135.00 134.94 2kby n PRO 32 Ca -0.13 0.03 -0.03 0.00 -2.02 0.00 0.00 63.50 61.35 2kby n PRO 32 Cb 0.52 -1.55 0.03 0.00 -0.02 0.00 0.00 33.50 32.49 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 4.01 -0.02 -0.29 -0.52 4.15 -1.93 -0.62 115.11 119.89 2kby h GLN 33 Ca -0.48 0.00 0.09 0.00 0.77 0.00 0.00 58.65 59.03 2kby h GLN 33 Cb 1.40 0.01 -0.01 0.00 0.21 0.00 0.00 27.48 29.08 2kby h GLN 33 CO 0.80 -0.02 0.24 -1.00 -1.93 0.00 0.00 178.83 176.92 2kby h PRO 34 N -0.03 0.00 0.05 -2.39 0.13 -2.00 -0.38 132.00 127.39 2kby h PRO 34 Ca 0.24 0.00 -0.23 0.00 -0.87 0.00 0.00 66.00 65.14 2kby h PRO 34 Cb 0.39 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.51 2kby h PRO 34 CO -0.52 0.00 -1.05 1.25 -0.23 0.00 0.00 178.00 177.45 2kby h LEU 35 N 0.00 0.30 -0.35 1.56 5.85 -1.47 -2.81 115.31 118.38 2kby h LEU 35 Ca 0.14 -0.29 -0.18 0.00 0.84 0.00 0.00 57.88 58.40 2kby h LEU 35 Cb 0.61 -0.09 -0.00 0.00 0.37 0.00 0.00 40.66 41.55 2kby h LEU 35 CO -0.00 1.16 -0.52 0.58 -0.34 0.00 0.00 178.44 179.32 2kby h VAL 36 N 0.09 1.28 -0.75 1.05 2.07 -0.58 -2.70 116.25 116.71 2kby h VAL 36 Ca -0.08 -1.71 0.04 0.00 0.82 0.00 0.00 66.70 65.78 2kby h VAL 36 Cb 1.74 1.60 -0.05 0.00 -1.52 0.00 0.00 31.29 33.06 2kby h VAL 36 CO 0.16 0.56 0.47 0.44 0.02 0.00 0.00 177.57 179.22 2kby h ASP 37 N 0.65 0.75 -0.63 0.57 3.32 -1.15 0.25 116.42 120.19 2kby h ASP 37 Ca 0.02 0.01 0.02 0.00 0.02 0.00 0.00 57.03 57.10 2kby h ASP 37 Cb 1.12 -0.15 -0.04 0.00 0.22 0.00 0.00 39.33 40.47 2kby h ASP 37 CO 0.11 0.51 0.39 -1.28 -1.72 0.00 0.00 179.24 177.26 2kby h SER 38 N 0.89 0.65 -0.41 6.45 0.87 -1.35 -1.56 113.55 119.09 2kby h SER 38 Ca 0.31 -0.00 -0.01 0.00 -1.23 0.00 0.00 61.79 60.86 2kby h SER 38 Cb 0.07 -0.14 -0.02 0.00 -0.44 0.00 0.00 62.40 61.87 2kby h SER 38 CO -0.13 0.46 0.23 0.22 -0.53 0.00 0.00 176.83 177.07 2kby h TYR 39 N 0.78 0.57 -0.65 2.24 3.20 -1.01 -2.19 116.97 119.92 2kby h TYR 39 Ca 0.25 -0.01 0.10 0.00 3.14 0.00 0.00 58.73 62.21 2kby h TYR 39 Cb -0.00 -0.18 -0.04 0.00 1.54 0.00 0.00 36.73 38.04 2kby h TYR 39 CO -0.05 0.44 0.43 0.00 -1.64 0.00 0.00 178.16 177.34 2kby h ARG 40 N 0.54 0.44 -0.05 1.82 3.08 -0.39 0.23 114.38 120.04 2kby h ARG 40 Ca 0.15 -0.03 -0.01 0.00 0.07 0.00 0.00 59.98 60.16 2kby h ARG 40 Cb 0.06 -0.10 -0.00 0.00 0.08 0.00 0.00 29.97 30.01 2kby h ARG 40 CO -0.02 0.29 -0.02 1.96 -1.07 0.00 0.00 179.97 181.11 2kby h GLN 41 N 0.45 0.11 0.00 0.04 4.20 -0.77 0.28 115.11 119.42 2kby h GLN 41 Ca 0.30 -0.05 -0.01 0.00 0.06 0.00 0.00 58.65 58.95 2kby h GLN 41 Cb 0.57 -0.00 -0.00 0.00 0.30 0.00 0.00 27.48 28.35 2kby h GLN 41 CO -0.09 0.48 -0.06 0.37 -0.67 0.00 0.00 178.83 178.86 2kby h GLN 42 N -0.26 0.00 0.06 1.46 5.75 -0.62 -1.13 115.11 120.37 2kby h GLN 42 Ca 0.01 0.00 -0.27 0.00 -0.15 0.00 0.00 58.65 58.24 2kby h GLN 42 Cb 0.44 0.00 -0.02 0.00 1.07 0.00 0.00 27.48 28.97 2kby h GLN 42 CO 0.01 0.06 -1.34 0.37 -2.65 0.00 0.00 178.83 175.27 2kby h GLN 43 N 0.00 0.14 0.00 1.69 5.75 -0.31 -3.23 115.11 119.14 2kby h GLN 43 Ca -0.00 -0.23 -0.02 0.00 -0.15 0.00 0.00 58.65 58.25 2kby h GLN 43 Cb 0.15 0.09 -0.00 0.00 1.07 0.00 0.00 27.48 28.78 2kby h GLN 43 CO 0.01 1.00 -0.09 0.37 -2.65 0.00 0.00 178.83 177.47 2kby h GLN 44 N 0.04 0.00 -0.22 1.69 5.75 0.79 -2.92 115.11 120.23 2kby h GLN 44 Ca -0.16 0.00 0.04 0.00 -0.15 0.00 0.00 58.65 58.39 2kby h GLN 44 Cb 1.93 0.00 -0.04 0.00 1.07 0.00 0.00 27.48 30.44 2kby h GLN 44 CO 0.15 0.09 -0.05 1.25 -2.65 0.00 0.00 178.83 177.61 2kby h LEU 45 N 0.00 -0.20 -6.50 -2.39 5.85 -1.41 -3.37 115.31 107.30 2kby h LEU 45 Ca -0.00 0.07 -0.57 0.00 0.84 0.00 0.00 57.88 58.21 2kby h LEU 45 Cb 0.41 0.13 -0.38 0.00 0.37 0.00 0.00 40.66 41.19 2kby h LEU 45 CO 0.01 -0.07 -0.88 -0.22 -0.34 0.00 0.00 178.44 176.94 2kby s LEU 46 N -10.42 1.05 -0.16 2.25 2.96 -1.11 -4.99 118.68 108.26 2kby s LEU 46 Ca -0.13 -2.43 -0.02 0.00 -0.22 0.00 0.00 54.13 51.33 2kby s LEU 46 Cb 0.11 -0.36 0.02 0.00 0.50 0.00 0.00 46.19 46.46 2kby s LEU 46 CO 0.69 -0.26 2.42 1.67 -1.32 0.00 0.00 176.35 179.54 2kby n GLN 47 N 3.68 1.62 0.00 1.98 0.00 -1.20 -4.96 117.38 118.50 2kby n GLN 47 Ca 0.17 -0.98 0.00 0.00 -0.00 0.00 0.00 57.00 56.20 2kby n GLN 47 Cb 0.41 -1.53 0.00 0.00 0.00 0.00 0.00 30.24 29.12 2kby n GLN 47 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.06 177.60