#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 -2.71 0.00 -1.24 0.28 -1.26 -4.89 120.64 110.82 2kby n GLU 2 Ca 0.00 0.12 0.00 0.00 -0.16 0.00 0.00 57.16 57.12 2kby n GLU 2 Cb 0.00 -4.65 0.00 0.00 1.43 0.00 0.00 31.44 28.22 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 -1.66 0.00 -4.77 -1.84 8.00 -1.26 -5.03 116.55 110.00 2kby n ASP 3 Ca -0.01 0.00 -0.39 0.00 0.71 0.00 0.00 54.79 55.10 2kby n ASP 3 Cb 0.51 0.00 -0.04 0.00 -0.02 0.00 0.00 41.12 41.57 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 2.21 3.50 0.29 -3.53 2.01 -1.26 -5.04 115.64 113.82 2kby s THR 4 Ca 0.00 1.38 0.06 0.00 0.31 0.00 0.00 61.69 63.43 2kby s THR 4 Cb 0.00 -3.82 -0.06 0.00 0.01 0.00 0.00 72.50 68.63 2kby s THR 4 CO 0.00 0.23 -0.02 -0.31 -0.69 0.00 0.00 174.62 173.83 2kby s TYR 5 N -1.33 1.93 -0.14 4.92 2.02 -1.26 -5.14 117.35 118.35 2kby s TYR 5 Ca 0.50 -0.79 -0.00 0.00 -0.37 0.00 0.00 57.07 56.41 2kby s TYR 5 Cb -0.29 -1.16 -0.01 0.00 -0.40 0.00 0.00 41.96 40.10 2kby s TYR 5 CO 0.37 0.18 -0.14 0.71 -1.57 0.00 0.00 175.55 175.11 2kby s TYR 6 N -3.12 2.80 -0.32 2.71 2.02 -1.26 -5.09 117.35 115.09 2kby s TYR 6 Ca 0.31 -0.83 -0.04 0.00 -0.37 0.00 0.00 57.07 56.15 2kby s TYR 6 Cb 0.06 -1.87 0.05 0.00 -0.40 0.00 0.00 41.96 39.79 2kby s TYR 6 CO 0.13 -0.34 0.05 -1.17 -1.57 0.00 0.00 175.55 172.65 2kby s LEU 7 N 0.60 4.15 -0.32 -1.29 2.96 -1.26 -5.07 118.68 118.45 2kby s LEU 7 Ca -0.08 -1.28 -0.27 0.00 -0.22 0.00 0.00 54.13 52.28 2kby s LEU 7 Cb -0.16 -1.78 0.01 0.00 0.50 0.00 0.00 46.19 44.77 2kby s LEU 7 CO 0.03 -0.31 0.95 -1.58 -1.32 0.00 0.00 176.35 174.13 2kby s GLN 8 N 1.30 4.01 -0.13 1.98 0.74 -1.26 -5.01 119.66 121.29 2kby s GLN 8 Ca -0.03 0.85 0.03 0.00 0.05 0.00 0.00 55.36 56.25 2kby s GLN 8 Cb -0.20 -3.74 0.01 0.00 1.10 0.00 0.00 33.01 30.18 2kby s GLN 8 CO 0.00 -0.82 -0.22 0.08 -0.55 0.00 0.00 175.29 173.79 2kby s VAL 9 N 3.36 2.01 -0.11 1.34 1.01 -1.26 -5.11 120.40 121.64 2kby s VAL 9 Ca 0.40 -0.96 -0.12 0.00 0.00 0.00 0.00 61.98 61.30 2kby s VAL 9 Cb -0.13 -1.77 -0.05 0.00 0.00 0.00 0.00 36.38 34.43 2kby s VAL 9 CO 0.14 0.54 0.27 -0.60 0.00 0.00 0.00 175.10 175.46 2kby s ARG 10 N 0.72 3.93 0.00 2.72 3.00 -1.26 -4.73 118.95 123.32 2kby s ARG 10 Ca -0.10 0.10 0.00 0.00 -1.00 0.00 0.00 55.73 54.73 2kby s ARG 10 Cb -0.16 -3.30 0.00 0.00 0.00 0.00 0.00 34.95 31.49 2kby s ARG 10 CO 0.01 0.52 0.00 0.41 0.00 0.00 0.00 175.30 176.24 2kby n GLY 11 N 2.57 -0.08 0.17 8.12 0.00 -1.26 -4.60 105.19 110.10 2kby n GLY 11 Ca -0.15 -1.15 -0.04 0.00 0.00 0.00 0.00 46.02 44.67 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 -1.00 114.38 122.23 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 0.11 1.49 2.80 0.00 0.00 179.97 184.44 2kby h GLU 13 N 0.11 0.24 -0.38 0.20 4.81 -2.00 0.67 114.58 118.23 2kby h GLU 13 Ca 0.20 -0.01 -0.05 0.00 -0.13 0.00 0.00 59.36 59.36 2kby h GLU 13 Cb 0.28 -0.05 -0.01 0.00 0.63 0.00 0.00 28.75 29.59 2kby h GLU 13 CO -0.33 0.16 0.04 -0.91 -0.73 0.00 0.00 179.01 177.24 2kby h ASN 14 N 0.25 0.63 -0.53 1.04 2.35 -1.72 -2.33 115.58 115.28 2kby h ASN 14 Ca 0.26 -0.28 0.03 0.00 -0.55 0.00 0.00 56.30 55.76 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 -0.34 0.75 0.31 0.15 -1.65 0.00 0.00 177.43 176.65 2kby h PHE 15 N 0.48 0.57 -0.30 1.19 3.57 -0.45 -1.46 116.94 120.54 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 0.41 -0.18 -0.01 0.00 2.79 0.00 0.00 35.95 38.95 2kby h PHE 15 CO 0.03 0.32 0.12 0.93 -2.23 0.00 0.00 178.31 177.48 2kby h GLU 16 N 0.60 0.45 -0.51 1.11 5.08 -0.80 0.61 114.58 121.13 2kby h GLU 16 Ca 0.22 -0.08 -0.01 0.00 -1.00 0.00 0.00 59.36 58.48 2kby h GLU 16 Cb 0.05 -0.07 -0.02 0.00 0.50 0.00 0.00 28.75 29.20 2kby h GLU 16 CO -0.11 0.47 0.27 0.82 -1.00 0.00 0.00 179.01 179.46 2kby h ILE 17 N 0.34 1.18 -0.14 3.13 2.04 -1.21 -0.61 117.51 122.24 2kby h ILE 17 Ca 0.10 -0.46 -0.21 0.00 1.00 0.00 0.00 64.86 65.29 2kby h ILE 17 Cb 0.18 0.56 0.00 0.00 -0.74 0.00 0.00 36.82 36.82 2kby h ILE 17 CO -0.01 0.19 -0.74 -0.07 0.00 0.00 0.00 178.15 177.52 2kby h LEU 18 N 0.68 0.81 -0.09 1.44 3.38 -1.17 -2.50 115.31 117.86 2kby h LEU 18 Ca 0.18 -0.52 -0.00 0.00 0.09 0.00 0.00 57.88 57.63 2kby h LEU 18 Cb 0.06 -0.24 -0.00 0.00 0.09 0.00 0.00 40.66 40.57 2kby h LEU 18 CO -0.03 1.30 0.05 -0.03 0.09 0.00 0.00 178.44 179.82 2kby h MET 19 N 0.47 0.13 -0.57 1.13 4.05 0.43 0.66 114.93 121.23 2kby h MET 19 Ca -0.04 -0.02 0.05 0.00 -0.28 0.00 0.00 59.70 59.42 2kby h MET 19 Cb 1.35 -0.02 -0.03 0.00 -0.80 0.00 0.00 31.60 32.10 2kby h MET 19 CO 0.15 0.17 0.38 -0.22 0.23 0.00 0.00 176.91 177.62 2kby h LYS 20 N 0.05 0.56 -0.17 0.39 3.11 -1.16 -1.88 116.57 117.47 2kby h LYS 20 Ca 0.03 -0.03 -0.13 0.00 -2.81 0.00 0.00 60.65 57.71 2kby h LYS 20 Cb 0.08 -0.13 0.00 0.00 -1.00 0.00 0.00 32.23 31.19 2kby h LYS 20 CO -0.00 0.37 -0.41 1.25 -2.81 0.00 0.00 179.45 177.84 2kby h LEU 21 N 0.57 0.65 -1.13 5.20 6.46 -0.82 -2.33 115.31 123.92 2kby h LEU 21 Ca 0.24 -0.57 0.16 0.00 -0.12 0.00 0.00 57.88 57.59 2kby h LEU 21 Cb 0.24 -0.19 -0.09 0.00 -0.73 0.00 0.00 40.66 39.89 2kby h LEU 21 CO -0.07 1.11 0.61 0.50 -0.62 0.00 0.00 178.44 179.97 2kby h LYS 22 N 0.23 0.76 -0.36 1.25 3.11 0.11 0.30 116.57 121.96 2kby h LYS 22 Ca -0.00 -0.05 -0.05 0.00 -2.81 0.00 0.00 60.65 57.74 2kby h LYS 22 Cb 1.02 -0.17 -0.01 0.00 -1.00 0.00 0.00 32.23 32.07 2kby h LYS 22 CO 0.09 0.50 0.01 1.49 -2.81 0.00 0.00 179.45 178.74 2kby h GLU 23 N 0.79 0.63 0.18 1.90 4.81 -1.33 -1.59 114.58 119.97 2kby h GLU 23 Ca 0.51 -0.19 -0.01 0.00 -0.13 0.00 0.00 59.36 59.54 2kby h GLU 23 Cb 0.76 -0.06 0.00 0.00 0.63 0.00 0.00 28.75 30.08 2kby h GLU 23 CO -0.28 0.73 -0.09 0.77 -0.73 0.00 0.00 179.01 179.41 2kby h SER 24 N 0.45 -0.21 -0.48 1.04 0.02 0.03 -0.07 113.55 114.33 2kby h SER 24 Ca 0.10 -0.06 -0.00 0.00 -0.84 0.00 0.00 61.79 61.00 2kby h SER 24 Cb 0.44 0.05 -0.02 0.00 0.14 0.00 0.00 62.40 63.01 2kby h SER 24 CO 0.02 -0.08 0.29 -0.07 -1.14 0.00 0.00 176.83 175.85 2kby h LEU 25 N -0.32 0.57 -0.39 5.07 3.38 -0.86 -2.24 115.31 120.52 2kby h LEU 25 Ca -0.03 -0.05 -0.09 0.00 0.09 0.00 0.00 57.88 57.80 2kby h LEU 25 Cb 0.25 -0.14 -0.01 0.00 0.09 0.00 0.00 40.66 40.84 2kby h LEU 25 CO 0.04 0.46 -0.11 -0.33 0.09 0.00 0.00 178.44 178.58 2kby h GLU 26 N 0.64 0.76 -0.34 1.13 5.08 -1.26 -3.12 114.58 117.48 2kby h GLU 26 Ca 0.17 -0.30 -0.02 0.00 -1.00 0.00 0.00 59.36 58.21 2kby h GLU 26 Cb -0.01 -0.04 -0.02 0.00 0.50 0.00 0.00 28.75 29.18 2kby h GLU 26 CO -0.03 0.91 0.11 -0.07 -1.00 0.00 0.00 179.01 178.93 2kby h LEU 27 N 0.57 0.43 -1.13 1.33 3.38 -0.85 -2.64 115.31 116.41 2kby h LEU 27 Ca 0.10 -0.04 0.00 0.00 0.09 0.00 0.00 57.88 58.02 2kby h LEU 27 Cb 0.64 -0.11 0.00 0.00 0.09 0.00 0.00 40.66 41.28 2kby h LEU 27 CO 0.04 0.41 0.21 0.24 0.09 0.00 0.00 178.44 179.43 2kby h MET 28 N 0.48 0.00 0.00 1.13 2.86 -1.34 0.32 114.93 118.38 2kby h MET 28 Ca 0.12 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.76 2kby h MET 28 Cb 0.13 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.79 2kby h MET 28 CO -0.01 0.00 -0.92 1.05 1.06 0.00 0.00 176.91 178.09 2kby h GLU 29 N 0.00 0.00 -0.08 1.72 4.11 -1.65 -3.30 114.58 115.38 2kby h GLU 29 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.43 2kby h GLU 29 Cb 0.42 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.67 2kby h GLU 29 CO 0.00 0.00 0.00 1.47 0.07 0.00 0.00 179.01 180.55 2kby n LEU 30 N -2.61 2.10 -4.64 3.06 -0.00 0.11 -4.80 117.00 110.21 2kby n LEU 30 Ca 0.01 -0.76 -0.37 0.00 -0.00 0.00 0.00 56.01 54.89 2kby n LEU 30 Cb 0.53 -0.04 -0.09 0.00 -0.00 0.00 0.00 43.42 43.82 2kby n LEU 30 CO 0.39 0.38 -0.12 -0.69 -0.00 0.00 0.00 177.39 177.35 2kby s VAL 31 N -1.92 5.31 -0.16 1.47 1.01 -1.13 -5.03 120.40 119.96 2kby s VAL 31 Ca 0.34 0.28 -0.42 0.00 0.00 0.00 0.00 61.98 62.19 2kby s VAL 31 Cb 0.20 -3.55 -0.19 0.00 0.00 0.00 0.00 36.38 32.84 2kby s VAL 31 CO 0.31 0.30 1.33 -2.65 0.00 0.00 0.00 175.10 174.39 2kby n PRO 32 N 4.56 0.29 -0.25 2.72 -0.02 -1.26 -4.76 135.00 136.28 2kby n PRO 32 Ca -0.13 0.11 0.05 0.00 -2.02 0.00 0.00 63.50 61.51 2kby n PRO 32 Cb 0.52 -1.65 0.18 0.00 -0.02 0.00 0.00 33.50 32.53 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 4.24 0.29 -0.15 -0.52 4.15 -1.92 0.02 115.11 121.22 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 1.39 -0.07 -0.01 0.00 0.21 0.00 0.00 27.48 29.01 2kby h GLN 33 CO 0.80 0.19 0.11 -1.35 -1.93 0.00 0.00 178.83 176.65 2kby h PRO 34 N 0.30 0.00 0.06 -2.39 0.11 -2.00 -0.94 132.00 127.15 2kby h PRO 34 Ca 0.41 0.00 -0.24 0.00 0.11 0.00 0.00 66.00 66.28 2kby h PRO 34 Cb 0.69 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 31.80 2kby h PRO 34 CO -0.49 0.00 -1.08 1.25 -0.21 0.00 0.00 178.00 177.47 2kby h LEU 35 N 0.00 0.34 -0.34 2.35 5.85 -1.34 -2.82 115.31 119.34 2kby h LEU 35 Ca 0.07 -0.33 -0.18 0.00 0.84 0.00 0.00 57.88 58.29 2kby h LEU 35 Cb 0.29 -0.11 -0.00 0.00 0.37 0.00 0.00 40.66 41.21 2kby h LEU 35 CO -0.00 1.21 -0.49 0.58 -0.34 0.00 0.00 178.44 179.40 2kby h VAL 36 N 0.09 1.27 -0.63 1.05 2.07 -0.87 -2.58 116.25 116.66 2kby h VAL 36 Ca -0.09 -1.67 0.03 0.00 0.82 0.00 0.00 66.70 65.80 2kby h VAL 36 Cb 1.79 1.53 -0.04 0.00 -1.52 0.00 0.00 31.29 33.05 2kby h VAL 36 CO 0.17 0.55 0.38 -0.78 0.02 0.00 0.00 177.57 177.91 2kby h ASP 37 N 0.70 0.62 -0.60 0.57 1.82 -1.22 -0.25 116.42 118.06 2kby h ASP 37 Ca 0.03 0.00 0.01 0.00 -0.39 0.00 0.00 57.03 56.69 2kby h ASP 37 Cb 1.09 -0.13 -0.03 0.00 0.68 0.00 0.00 39.33 40.94 2kby h ASP 37 CO 0.11 0.43 0.39 -1.28 -1.61 0.00 0.00 179.24 177.28 2kby h SER 38 N 0.75 0.65 -0.56 2.28 0.87 -1.37 -1.99 113.55 114.18 2kby h SER 38 Ca 0.25 -0.01 -0.00 0.00 -1.23 0.00 0.00 61.79 60.80 2kby h SER 38 Cb 0.03 -0.15 -0.03 0.00 -0.44 0.00 0.00 62.40 61.81 2kby h SER 38 CO -0.11 0.47 0.34 0.22 -0.53 0.00 0.00 176.83 177.22 2kby h TYR 39 N 0.78 0.74 -0.63 2.24 3.20 -0.99 -2.06 116.97 120.24 2kby h TYR 39 Ca 0.23 -0.00 0.11 0.00 3.14 0.00 0.00 58.73 62.20 2kby h TYR 39 Cb -0.05 -0.24 -0.04 0.00 1.54 0.00 0.00 36.73 37.94 2kby h TYR 39 CO -0.04 0.51 0.43 -0.09 -1.64 0.00 0.00 178.16 177.32 2kby h ARG 40 N 0.76 0.41 -0.03 1.82 2.43 -0.47 -0.41 114.38 118.90 2kby h ARG 40 Ca 0.20 -0.02 -0.01 0.00 -0.81 0.00 0.00 59.98 59.34 2kby h ARG 40 Cb -0.02 -0.09 -0.00 0.00 -0.42 0.00 0.00 29.97 29.44 2kby h ARG 40 CO -0.04 0.27 -0.00 1.96 -1.51 0.00 0.00 179.97 180.66 2kby h GLN 41 N 0.43 0.06 0.00 0.20 4.20 -0.67 0.14 115.11 119.46 2kby h GLN 41 Ca 0.30 -0.02 -0.01 0.00 0.06 0.00 0.00 58.65 58.98 2kby h GLN 41 Cb 0.59 -0.01 -0.00 0.00 0.30 0.00 0.00 27.48 28.36 2kby h GLN 41 CO -0.09 0.35 -0.04 0.37 -0.67 0.00 0.00 178.83 178.75 2kby h GLN 42 N -0.24 0.00 0.21 1.46 4.15 -0.92 -2.01 115.11 117.76 2kby h GLN 42 Ca 0.01 0.00 -0.30 0.00 0.77 0.00 0.00 58.65 59.13 2kby h GLN 42 Cb 0.32 0.00 0.03 0.00 0.21 0.00 0.00 27.48 28.04 2kby h GLN 42 CO 0.00 0.04 -1.34 0.37 -1.93 0.00 0.00 178.83 175.97 2kby h GLN 43 N 0.00 0.45 0.00 1.69 4.15 -0.81 -3.27 115.11 117.32 2kby h GLN 43 Ca -0.00 -0.77 -0.01 0.00 0.77 0.00 0.00 58.65 58.64 2kby h GLN 43 Cb 0.11 0.29 -0.00 0.00 0.21 0.00 0.00 27.48 28.08 2kby h GLN 43 CO 0.01 1.37 -0.05 0.37 -1.93 0.00 0.00 178.83 178.60 2kby h GLN 44 N -0.02 0.00 -0.39 1.69 5.75 -0.05 -0.88 115.11 121.20 2kby h GLN 44 Ca -0.24 0.00 0.06 0.00 -0.15 0.00 0.00 58.65 58.31 2kby h GLN 44 Cb 2.01 0.00 -0.05 0.00 1.07 0.00 0.00 27.48 30.51 2kby h GLN 44 CO 0.22 0.05 0.11 1.25 -2.65 0.00 0.00 178.83 177.80 2kby h LEU 45 N 0.00 0.07 0.00 -2.39 5.85 -1.43 -3.40 115.31 114.01 2kby h LEU 45 Ca -0.00 0.06 0.00 0.00 0.84 0.00 0.00 57.88 58.78 2kby h LEU 45 Cb 0.22 0.06 0.00 0.00 0.37 0.00 0.00 40.66 41.32 2kby h LEU 45 CO 0.01 0.08 -0.04 0.18 -0.34 0.00 0.00 178.44 178.32 2kby n LEU 46 N -5.06 0.12 -2.98 2.25 4.77 -1.03 -5.01 117.00 110.07 2kby n LEU 46 Ca 0.02 0.02 -0.22 0.00 -0.03 0.00 0.00 56.01 55.80 2kby n LEU 46 Cb 0.16 -0.26 0.02 0.00 -2.33 0.00 0.00 43.42 41.01 2kby n LEU 46 CO 0.25 -0.50 -0.05 1.67 -1.33 0.00 0.00 177.39 177.43 2kby n GLN 47 N -2.62 -4.15 0.00 3.23 0.00 -0.36 -5.13 117.38 108.35 2kby n GLN 47 Ca -0.01 0.83 0.00 0.00 -0.00 0.00 0.00 57.00 57.83 2kby n GLN 47 Cb 0.02 -5.64 0.00 0.00 0.00 0.00 0.00 30.24 24.62 2kby n GLN 47 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.06 177.60