#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 -0.25 0.00 0.00 -0.16 0.00 0.00 57.16 56.75 2kby n GLU 2 Cb 0.00 0.22 0.00 0.00 1.43 0.00 0.00 31.44 33.09 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 0.00 -4.76 -1.84 2.03 -1.26 -5.02 116.55 105.70 2kby n ASP 3 Ca -0.07 0.00 -0.40 0.00 0.52 0.00 0.00 54.79 54.84 2kby n ASP 3 Cb 0.39 0.00 -0.04 0.00 -0.72 0.00 0.00 41.12 40.75 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 2.97 3.42 0.29 5.18 2.01 -1.26 -5.04 115.64 123.21 2kby s THR 4 Ca 0.00 1.38 0.05 0.00 0.31 0.00 0.00 61.69 63.43 2kby s THR 4 Cb 0.00 -3.85 -0.06 0.00 0.01 0.00 0.00 72.50 68.60 2kby s THR 4 CO 0.00 0.29 -0.02 -0.31 -0.69 0.00 0.00 174.62 173.89 2kby s TYR 5 N -1.23 1.93 -0.15 4.92 2.02 -1.26 -5.14 117.35 118.44 2kby s TYR 5 Ca 0.47 -0.80 -0.00 0.00 -0.37 0.00 0.00 57.07 56.37 2kby s TYR 5 Cb -0.32 -1.17 -0.01 0.00 -0.40 0.00 0.00 41.96 40.07 2kby s TYR 5 CO 0.41 0.17 -0.14 0.71 -1.57 0.00 0.00 175.55 175.13 2kby s TYR 6 N -3.13 2.80 -0.32 2.71 2.02 -1.26 -5.09 117.35 115.08 2kby s TYR 6 Ca 0.31 -0.85 -0.04 0.00 -0.37 0.00 0.00 57.07 56.13 2kby s TYR 6 Cb 0.06 -1.88 0.05 0.00 -0.40 0.00 0.00 41.96 39.79 2kby s TYR 6 CO 0.13 -0.35 0.06 -1.17 -1.57 0.00 0.00 175.55 172.64 2kby s LEU 7 N 0.62 4.17 -0.32 -1.29 2.96 -1.26 -5.07 118.68 118.50 2kby s LEU 7 Ca -0.08 -1.28 -0.27 0.00 -0.22 0.00 0.00 54.13 52.29 2kby s LEU 7 Cb -0.16 -1.78 0.01 0.00 0.50 0.00 0.00 46.19 44.76 2kby s LEU 7 CO 0.03 -0.31 0.96 -1.58 -1.32 0.00 0.00 176.35 174.13 2kby s GLN 8 N 1.30 4.02 -0.12 1.98 0.74 -1.26 -5.01 119.66 121.31 2kby s GLN 8 Ca -0.03 0.88 0.03 0.00 0.05 0.00 0.00 55.36 56.28 2kby s GLN 8 Cb -0.20 -3.74 0.01 0.00 1.10 0.00 0.00 33.01 30.19 2kby s GLN 8 CO 0.00 -0.82 -0.20 0.08 -0.55 0.00 0.00 175.29 173.80 2kby s VAL 9 N 3.38 1.87 -0.07 1.34 1.01 -1.26 -5.12 120.40 121.55 2kby s VAL 9 Ca 0.40 -0.87 -0.11 0.00 0.00 0.00 0.00 61.98 61.40 2kby s VAL 9 Cb -0.13 -1.66 -0.05 0.00 0.00 0.00 0.00 36.38 34.54 2kby s VAL 9 CO 0.14 0.51 0.27 -0.60 0.00 0.00 0.00 175.10 175.42 2kby s ARG 10 N 0.78 3.73 0.00 2.72 3.00 -1.26 -4.73 118.95 123.19 2kby s ARG 10 Ca -0.09 0.12 0.00 0.00 -1.00 0.00 0.00 55.73 54.76 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 0.00 0.68 0.00 0.41 0.00 0.00 0.00 175.30 176.39 2kby n GLY 11 N 2.08 -0.86 0.18 8.12 0.00 -1.26 -4.59 105.19 108.86 2kby n GLY 11 Ca -0.17 -1.09 -0.04 0.00 0.00 0.00 0.00 46.02 44.73 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 0.14 -0.47 1.61 9.65 -1.99 -1.42 114.38 121.91 2kby h ARG 12 Ca 0.00 -0.01 0.08 0.00 -1.10 0.00 0.00 59.98 58.95 2kby h ARG 12 Cb 0.00 -0.03 -0.07 0.00 -1.39 0.00 0.00 29.97 28.48 2kby h ARG 12 CO 0.00 0.09 0.06 1.49 2.80 0.00 0.00 179.97 184.42 2kby h GLU 13 N 0.15 0.18 -0.37 0.20 4.57 -2.00 0.17 114.58 117.48 2kby h GLU 13 Ca 0.22 -0.01 -0.04 0.00 -1.18 0.00 0.00 59.36 58.34 2kby h GLU 13 Cb 0.31 -0.04 -0.01 0.00 -0.16 0.00 0.00 28.75 28.84 2kby h GLU 13 CO -0.34 0.12 0.06 -0.91 -1.18 0.00 0.00 179.01 176.77 2kby h ASN 14 N 0.19 0.58 -0.54 1.04 2.35 -1.72 -2.40 115.58 115.08 2kby h ASN 14 Ca 0.23 -0.26 0.03 0.00 -0.55 0.00 0.00 56.30 55.76 2kby h ASN 14 Cb 0.32 -0.15 -0.04 0.00 0.05 0.00 0.00 38.32 38.50 2kby h ASN 14 CO -0.33 0.69 0.30 0.15 -1.65 0.00 0.00 177.43 176.59 2kby h PHE 15 N 0.45 0.57 -0.32 1.19 3.57 -0.64 -1.55 116.94 120.21 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 0.35 -0.18 -0.01 0.00 2.79 0.00 0.00 35.95 38.90 2kby h PHE 15 CO 0.02 0.31 0.12 0.93 -2.23 0.00 0.00 178.31 177.46 2kby h GLU 16 N 0.60 0.48 -0.54 1.11 5.08 -0.90 0.55 114.58 120.95 2kby h GLU 16 Ca 0.22 -0.09 -0.01 0.00 -1.00 0.00 0.00 59.36 58.49 2kby h GLU 16 Cb 0.07 -0.08 -0.03 0.00 0.50 0.00 0.00 28.75 29.22 2kby h GLU 16 CO -0.12 0.49 0.31 0.82 -1.00 0.00 0.00 179.01 179.51 2kby h ILE 17 N 0.36 1.18 -0.15 3.13 2.04 -1.21 -0.68 117.51 122.18 2kby h ILE 17 Ca 0.10 -0.42 -0.21 0.00 1.00 0.00 0.00 64.86 65.33 2kby h ILE 17 Cb 0.20 0.47 0.01 0.00 -0.74 0.00 0.00 36.82 36.75 2kby h ILE 17 CO -0.01 0.18 -0.76 -0.07 0.00 0.00 0.00 178.15 177.50 2kby h LEU 18 N 0.73 0.86 -0.10 1.44 3.38 -1.18 -2.49 115.31 117.96 2kby h LEU 18 Ca 0.19 -0.56 -0.00 0.00 0.09 0.00 0.00 57.88 57.60 2kby h LEU 18 Cb 0.02 -0.25 -0.00 0.00 0.09 0.00 0.00 40.66 40.51 2kby h LEU 18 CO -0.03 1.35 0.06 -0.03 0.09 0.00 0.00 178.44 179.87 2kby h MET 19 N 0.50 0.13 -0.57 1.13 4.05 0.31 0.61 114.93 121.09 2kby h MET 19 Ca -0.04 -0.01 0.05 0.00 -0.28 0.00 0.00 59.70 59.41 2kby h MET 19 Cb 1.37 -0.03 -0.03 0.00 -0.80 0.00 0.00 31.60 32.11 2kby h MET 19 CO 0.15 0.15 0.38 -0.22 0.23 0.00 0.00 176.91 177.60 2kby h LYS 20 N 0.08 0.58 -0.17 0.39 3.11 -1.17 -1.97 116.57 117.41 2kby h LYS 20 Ca 0.03 -0.03 -0.12 0.00 -2.81 0.00 0.00 60.65 57.72 2kby h LYS 20 Cb 0.05 -0.13 0.00 0.00 -1.00 0.00 0.00 32.23 31.15 2kby h LYS 20 CO -0.01 0.38 -0.37 1.25 -2.81 0.00 0.00 179.45 177.90 2kby h LEU 21 N 0.60 0.63 -0.82 5.20 6.46 -0.79 -2.38 115.31 124.20 2kby h LEU 21 Ca 0.24 -0.56 0.12 0.00 -0.12 0.00 0.00 57.88 57.57 2kby h LEU 21 Cb 0.20 -0.18 -0.08 0.00 -0.73 0.00 0.00 40.66 39.87 2kby h LEU 21 CO -0.07 1.07 0.43 0.50 -0.62 0.00 0.00 178.44 179.75 2kby h LYS 22 N 0.21 0.65 -0.57 1.25 3.11 0.91 0.29 116.57 122.41 2kby h LYS 22 Ca 0.00 -0.04 0.00 0.00 -2.81 0.00 0.00 60.65 57.81 2kby h LYS 22 Cb 0.97 -0.15 -0.03 0.00 -1.00 0.00 0.00 32.23 32.03 2kby h LYS 22 CO 0.08 0.43 0.37 1.49 -2.81 0.00 0.00 179.45 179.01 2kby h GLU 23 N 0.67 0.76 0.17 1.90 4.81 -1.33 -0.09 114.58 121.47 2kby h GLU 23 Ca 0.43 -0.05 -0.01 0.00 -0.13 0.00 0.00 59.36 59.59 2kby h GLU 23 Cb 0.52 -0.17 0.00 0.00 0.63 0.00 0.00 28.75 29.74 2kby h GLU 23 CO -0.31 0.52 -0.08 0.77 -0.73 0.00 0.00 179.01 179.17 2kby h SER 24 N 0.78 -0.20 -0.43 1.04 0.02 -0.02 0.07 113.55 114.81 2kby h SER 24 Ca 0.21 -0.07 -0.00 0.00 -0.84 0.00 0.00 61.79 61.09 2kby h SER 24 Cb -0.06 0.05 -0.02 0.00 0.14 0.00 0.00 62.40 62.51 2kby h SER 24 CO -0.04 -0.06 0.25 -0.07 -1.14 0.00 0.00 176.83 175.77 2kby h LEU 25 N -0.32 0.52 -0.39 5.07 3.38 -0.68 -2.25 115.31 120.63 2kby h LEU 25 Ca -0.02 -0.06 -0.08 0.00 0.09 0.00 0.00 57.88 57.81 2kby h LEU 25 Cb 0.25 -0.13 -0.01 0.00 0.09 0.00 0.00 40.66 40.86 2kby h LEU 25 CO 0.04 0.43 -0.06 -0.33 0.09 0.00 0.00 178.44 178.61 2kby h GLU 26 N 0.56 0.73 -0.30 1.13 4.39 -0.99 -3.10 114.58 117.01 2kby h GLU 26 Ca 0.15 -0.26 -0.02 0.00 0.34 0.00 0.00 59.36 59.57 2kby h GLU 26 Cb 0.01 -0.05 -0.02 0.00 -0.10 0.00 0.00 28.75 28.60 2kby h GLU 26 CO -0.03 0.85 0.10 -0.07 -1.16 0.00 0.00 179.01 178.71 2kby h LEU 27 N 0.55 0.37 -1.00 1.33 3.38 -0.83 -2.66 115.31 116.45 2kby h LEU 27 Ca 0.10 -0.04 0.00 0.00 0.09 0.00 0.00 57.88 58.04 2kby h LEU 27 Cb 0.56 -0.10 0.00 0.00 0.09 0.00 0.00 40.66 41.21 2kby h LEU 27 CO 0.03 0.36 0.18 0.23 0.09 0.00 0.00 178.44 179.33 2kby n MET 28 N -4.40 0.10 0.09 1.13 2.81 -0.86 -0.16 117.12 115.82 2kby n MET 28 Ca 0.01 0.58 0.12 0.00 -1.81 0.00 0.00 57.70 56.60 2kby n MET 28 Cb 0.14 -2.01 0.04 0.00 -0.71 0.00 0.00 33.22 30.69 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 -2.07 0.50 0.00 0.03 0.28 -1.00 -3.83 120.64 114.55 2kby n GLU 29 Ca -0.01 0.10 0.13 0.00 -0.16 0.00 0.00 57.16 57.22 2kby n GLU 29 Cb 0.20 -1.77 0.30 0.00 1.43 0.00 0.00 31.44 31.60 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 -2.47 2.02 -4.64 -1.84 -0.00 0.77 -4.81 117.00 106.02 2kby n LEU 30 Ca 0.01 -0.67 -0.37 0.00 -0.00 0.00 0.00 56.01 54.98 2kby n LEU 30 Cb 0.51 -0.02 -0.10 0.00 -0.00 0.00 0.00 43.42 43.82 2kby n LEU 30 CO 0.39 0.34 -0.15 0.54 -0.00 0.00 0.00 177.39 178.52 2kby s VAL 31 N -2.11 5.33 -0.15 1.47 0.11 -1.16 -5.02 120.40 118.87 2kby s VAL 31 Ca 0.31 0.22 -0.42 0.00 -2.93 0.00 0.00 61.98 59.16 2kby s VAL 31 Cb 0.20 -3.53 -0.20 0.00 -1.53 0.00 0.00 36.38 31.32 2kby s VAL 31 CO 0.37 0.31 1.24 -2.65 -3.33 0.00 0.00 175.10 171.04 2kby n PRO 32 N 4.52 0.03 -0.24 1.54 -0.02 -1.26 -4.75 135.00 134.82 2kby n PRO 32 Ca -0.14 0.01 0.04 0.00 -2.02 0.00 0.00 63.50 61.39 2kby n PRO 32 Cb 0.52 -1.52 0.16 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 3.68 0.31 -0.20 -0.52 4.15 -1.92 -0.44 115.11 120.17 2kby h GLN 33 Ca -0.49 -0.02 0.05 0.00 0.77 0.00 0.00 58.65 58.97 2kby h GLN 33 Cb 1.41 -0.07 -0.01 0.00 0.21 0.00 0.00 27.48 29.02 2kby h GLN 33 CO 0.76 0.20 0.14 -1.35 -1.93 0.00 0.00 178.83 176.65 2kby h PRO 34 N 0.31 0.01 0.03 -2.39 0.11 -2.00 -1.05 132.00 127.03 2kby h PRO 34 Ca 0.38 -0.00 -0.22 0.00 0.11 0.00 0.00 66.00 66.27 2kby h PRO 34 Cb 0.61 -0.00 -0.01 0.00 0.11 0.00 0.00 31.00 31.71 2kby h PRO 34 CO -0.45 0.01 -0.99 1.25 -0.21 0.00 0.00 178.00 177.61 2kby h LEU 35 N 0.01 0.29 -0.35 2.35 5.85 -1.43 -2.83 115.31 119.20 2kby h LEU 35 Ca 0.09 -0.26 -0.17 0.00 0.84 0.00 0.00 57.88 58.37 2kby h LEU 35 Cb 0.36 -0.09 -0.00 0.00 0.37 0.00 0.00 40.66 41.29 2kby h LEU 35 CO -0.00 1.12 -0.48 0.58 -0.34 0.00 0.00 178.44 179.32 2kby h VAL 36 N 0.10 1.27 -0.63 1.05 2.07 -0.83 -2.53 116.25 116.75 2kby h VAL 36 Ca -0.07 -1.66 0.03 0.00 0.82 0.00 0.00 66.70 65.83 2kby h VAL 36 Cb 1.67 1.53 -0.04 0.00 -1.52 0.00 0.00 31.29 32.92 2kby h VAL 36 CO 0.15 0.55 0.38 -0.78 0.02 0.00 0.00 177.57 177.90 2kby h ASP 37 N 0.70 0.62 -0.59 0.57 1.82 -1.23 -0.34 116.42 117.97 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 1.08 -0.13 -0.03 0.00 0.68 0.00 0.00 39.33 40.93 2kby h ASP 37 CO 0.11 0.43 0.39 0.28 -1.61 0.00 0.00 179.24 178.84 2kby h SER 38 N 0.75 0.66 -0.42 2.28 0.02 -1.37 -2.13 113.55 113.35 2kby h SER 38 Ca 0.26 -0.01 -0.00 0.00 -0.84 0.00 0.00 61.79 61.19 2kby h SER 38 Cb 0.04 -0.16 -0.02 0.00 0.14 0.00 0.00 62.40 62.40 2kby h SER 38 CO -0.11 0.48 0.25 0.22 -1.14 0.00 0.00 176.83 176.53 2kby h TYR 39 N 0.78 0.56 -0.64 3.45 3.20 -0.97 -2.15 116.97 121.20 2kby h TYR 39 Ca 0.22 -0.00 0.12 0.00 3.14 0.00 0.00 58.73 62.20 2kby h TYR 39 Cb -0.07 -0.18 -0.04 0.00 1.54 0.00 0.00 36.73 37.97 2kby h TYR 39 CO -0.04 0.40 0.43 0.00 -1.64 0.00 0.00 178.16 177.31 2kby h ARG 40 N 0.56 0.38 -0.13 1.82 3.08 -0.64 -0.62 114.38 118.82 2kby h ARG 40 Ca 0.15 -0.02 -0.04 0.00 0.07 0.00 0.00 59.98 60.14 2kby h ARG 40 Cb 0.01 -0.09 -0.00 0.00 0.08 0.00 0.00 29.97 29.97 2kby h ARG 40 CO -0.03 0.25 -0.07 0.37 -1.07 0.00 0.00 179.97 179.42 2kby h GLN 41 N 0.39 0.28 -0.40 0.04 4.15 -0.77 0.35 115.11 119.16 2kby h GLN 41 Ca 0.30 -0.13 0.01 0.00 0.77 0.00 0.00 58.65 59.60 2kby h GLN 41 Cb 0.66 -0.01 -0.02 0.00 0.21 0.00 0.00 27.48 28.32 2kby h GLN 41 CO -0.09 0.62 0.26 0.37 -1.93 0.00 0.00 178.83 178.07 2kby h GLN 42 N -0.06 0.51 0.00 1.69 5.75 -0.74 -1.33 115.11 120.93 2kby h GLN 42 Ca 0.03 -0.03 -0.22 0.00 -0.15 0.00 0.00 58.65 58.28 2kby h GLN 42 Cb 0.54 -0.12 -0.03 0.00 1.07 0.00 0.00 27.48 28.94 2kby h GLN 42 CO 0.02 0.34 -1.13 0.37 -2.65 0.00 0.00 178.83 175.78 2kby h GLN 43 N 0.53 0.00 0.00 1.69 5.75 -1.05 -3.23 115.11 118.80 2kby h GLN 43 Ca 0.15 0.00 -0.02 0.00 -0.15 0.00 0.00 58.65 58.63 2kby h GLN 43 Cb -0.05 0.00 -0.00 0.00 1.07 0.00 0.00 27.48 28.50 2kby h GLN 43 CO -0.03 0.80 -0.10 0.37 -2.65 0.00 0.00 178.83 177.23 2kby h GLN 44 N 0.00 0.00 -0.17 1.69 5.75 0.82 -2.58 115.11 120.62 2kby h GLN 44 Ca -0.08 0.00 0.03 0.00 -0.15 0.00 0.00 58.65 58.46 2kby h GLN 44 Cb 1.78 0.00 -0.03 0.00 1.07 0.00 0.00 27.48 30.30 2kby h GLN 44 CO 0.11 0.10 -0.04 1.25 -2.65 0.00 0.00 178.83 177.59 2kby h LEU 45 N 0.00 -0.16 -6.94 -2.39 5.85 -1.43 -3.38 115.31 106.87 2kby h LEU 45 Ca -0.00 0.05 -0.57 0.00 0.84 0.00 0.00 57.88 58.20 2kby h LEU 45 Cb 0.27 0.11 -0.40 0.00 0.37 0.00 0.00 40.66 41.00 2kby h LEU 45 CO 0.01 -0.06 -0.77 -0.22 -0.34 0.00 0.00 178.44 177.06 2kby s LEU 46 N -10.37 1.70 -0.50 2.25 2.96 -0.97 -5.00 118.68 108.74 2kby s LEU 46 Ca -0.13 -1.83 -0.02 0.00 -0.22 0.00 0.00 54.13 51.93 2kby s LEU 46 Cb 0.10 -0.69 0.23 0.00 0.50 0.00 0.00 46.19 46.33 2kby s LEU 46 CO 0.68 -0.38 2.26 1.67 -1.32 0.00 0.00 176.35 179.27 2kby n GLN 47 N 4.57 2.29 0.00 1.98 0.00 -1.21 -4.90 117.38 120.10 2kby n GLN 47 Ca 0.01 -2.40 0.00 0.00 -0.00 0.00 0.00 57.00 54.61 2kby n GLN 47 Cb 0.40 -2.00 0.00 0.00 0.00 0.00 0.00 30.24 28.64 2kby n GLN 47 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.06 177.60