#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 0.11 0.28 -1.26 -5.13 120.64 114.64 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 -4.78 -1.84 8.00 -1.26 -4.94 116.55 111.73 2kby n ASP 3 Ca 0.00 0.00 -0.37 0.00 0.71 0.00 0.00 54.79 55.13 2kby n ASP 3 Cb 0.20 0.00 -0.03 0.00 -0.02 0.00 0.00 41.12 41.27 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 3.46 0.25 -3.53 2.01 -1.26 -5.04 115.64 111.52 2kby s THR 4 Ca 0.00 1.15 0.06 0.00 0.31 0.00 0.00 61.69 63.22 2kby s THR 4 Cb 0.00 -3.61 -0.05 0.00 0.01 0.00 0.00 72.50 68.84 2kby s THR 4 CO 0.00 0.04 -0.07 -0.31 -0.69 0.00 0.00 174.62 173.59 2kby s TYR 5 N -1.55 1.78 -0.14 4.92 2.02 -1.26 -5.14 117.35 117.98 2kby s TYR 5 Ca 0.58 -0.71 0.00 0.00 -0.37 0.00 0.00 57.07 56.57 2kby s TYR 5 Cb -0.26 -0.97 -0.01 0.00 -0.40 0.00 0.00 41.96 40.32 2kby s TYR 5 CO 0.32 0.23 -0.15 0.71 -1.57 0.00 0.00 175.55 175.10 2kby s TYR 6 N -3.09 2.78 -0.30 2.71 2.02 -1.26 -5.09 117.35 115.11 2kby s TYR 6 Ca 0.27 -0.82 -0.04 0.00 -0.37 0.00 0.00 57.07 56.11 2kby s TYR 6 Cb 0.03 -1.85 0.04 0.00 -0.40 0.00 0.00 41.96 39.78 2kby s TYR 6 CO 0.09 -0.33 0.03 -1.17 -1.57 0.00 0.00 175.55 172.60 2kby s LEU 7 N 0.53 3.89 -0.38 -1.29 2.96 -1.26 -5.07 118.68 118.06 2kby s LEU 7 Ca -0.10 -1.11 -0.24 0.00 -0.22 0.00 0.00 54.13 52.46 2kby s LEU 7 Cb -0.16 -1.76 0.01 0.00 0.50 0.00 0.00 46.19 44.78 2kby s LEU 7 CO 0.04 -0.25 0.84 -1.58 -1.32 0.00 0.00 176.35 174.08 2kby s GLN 8 N 1.33 3.73 -0.13 1.98 0.74 -1.26 -5.01 119.66 121.04 2kby s GLN 8 Ca -0.03 0.34 0.03 0.00 0.05 0.00 0.00 55.36 55.75 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 -0.94 -0.21 0.08 -0.55 0.00 0.00 175.29 173.67 2kby s VAL 9 N 3.30 1.92 -0.08 1.34 1.01 -1.26 -5.12 120.40 121.51 2kby s VAL 9 Ca 0.34 -0.90 -0.11 0.00 0.00 0.00 0.00 61.98 61.30 2kby s VAL 9 Cb -0.12 -1.70 -0.05 0.00 0.00 0.00 0.00 36.38 34.51 2kby s VAL 9 CO 0.19 0.52 0.28 -0.60 0.00 0.00 0.00 175.10 175.49 2kby s ARG 10 N 0.79 3.78 0.00 2.72 3.00 -1.26 -4.73 118.95 123.24 2kby s ARG 10 Ca -0.09 0.13 0.00 0.00 -1.00 0.00 0.00 55.73 54.77 2kby s ARG 10 Cb -0.16 -3.24 0.00 0.00 0.00 0.00 0.00 34.95 31.55 2kby s ARG 10 CO -0.00 0.65 0.00 0.41 0.00 0.00 0.00 175.30 176.36 2kby n GLY 11 N 2.16 -0.72 0.15 8.12 0.00 -1.26 -4.57 105.19 109.07 2kby n GLY 11 Ca -0.16 -1.12 -0.06 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 0.12 -0.54 1.61 9.65 -1.99 -0.94 114.38 122.29 2kby h ARG 12 Ca 0.00 -0.01 0.10 0.00 -1.10 0.00 0.00 59.98 58.97 2kby h ARG 12 Cb 0.00 -0.03 -0.08 0.00 -1.39 0.00 0.00 29.97 28.47 2kby h ARG 12 CO 0.00 0.08 0.08 1.49 2.80 0.00 0.00 179.97 184.42 2kby h GLU 13 N 0.12 0.20 -0.39 0.20 4.81 -1.99 0.26 114.58 117.79 2kby h GLU 13 Ca 0.17 -0.01 -0.14 0.00 -0.13 0.00 0.00 59.36 59.24 2kby h GLU 13 Cb 0.22 -0.05 -0.01 0.00 0.63 0.00 0.00 28.75 29.55 2kby h GLU 13 CO -0.26 0.13 -0.31 -0.91 -0.73 0.00 0.00 179.01 176.93 2kby h ASN 14 N 0.21 0.94 -0.06 1.04 2.35 -1.72 -2.59 115.58 115.75 2kby h ASN 14 Ca 0.28 -0.44 -0.01 0.00 -0.55 0.00 0.00 56.30 55.58 2kby h ASN 14 Cb 0.41 -0.26 -0.00 0.00 0.05 0.00 0.00 38.32 38.51 2kby h ASN 14 CO -0.39 1.19 0.01 0.15 -1.65 0.00 0.00 177.43 176.75 2kby h PHE 15 N 0.71 0.10 -0.86 1.19 3.57 -0.41 -1.17 116.94 120.08 2kby h PHE 15 Ca 0.07 -0.01 0.05 0.00 3.53 0.00 0.00 57.97 61.61 2kby h PHE 15 Cb 0.89 -0.03 -0.05 0.00 2.79 0.00 0.00 35.95 39.55 2kby h PHE 15 CO 0.06 0.30 0.56 0.93 -2.23 0.00 0.00 178.31 177.93 2kby h GLU 16 N -0.12 0.97 -0.30 1.11 4.39 -0.55 1.01 114.58 121.10 2kby h GLU 16 Ca 0.02 -0.06 -0.08 0.00 0.34 0.00 0.00 59.36 59.58 2kby h GLU 16 Cb 0.24 -0.22 -0.01 0.00 -0.10 0.00 0.00 28.75 28.67 2kby h GLU 16 CO 0.00 0.64 -0.13 0.82 -1.16 0.00 0.00 179.01 179.18 2kby h ILE 17 N 1.00 1.29 0.00 3.13 2.04 -1.31 -1.49 117.51 122.18 2kby h ILE 17 Ca 0.36 -1.22 -0.14 0.00 1.00 0.00 0.00 64.86 64.86 2kby h ILE 17 Cb 0.14 1.46 -0.02 0.00 -0.74 0.00 0.00 36.82 37.66 2kby h ILE 17 CO -0.12 0.39 -0.66 -0.07 0.00 0.00 0.00 178.15 177.68 2kby h LEU 18 N 0.36 0.00 -0.11 1.44 3.38 -0.70 -2.74 115.31 116.94 2kby h LEU 18 Ca 0.07 0.00 -0.14 0.00 0.09 0.00 0.00 57.88 57.90 2kby h LEU 18 Cb 0.65 0.00 0.01 0.00 0.09 0.00 0.00 40.66 41.40 2kby h LEU 18 CO 0.04 0.66 -0.47 -0.03 0.09 0.00 0.00 178.44 178.73 2kby h MET 19 N 0.00 0.52 0.00 1.13 4.05 0.12 0.46 114.93 121.20 2kby h MET 19 Ca -0.01 -0.41 -0.02 0.00 -0.28 0.00 0.00 59.70 58.99 2kby h MET 19 Cb 1.26 0.08 -0.00 0.00 -0.80 0.00 0.00 31.60 32.13 2kby h MET 19 CO 0.09 1.03 -0.09 -0.22 0.23 0.00 0.00 176.91 177.95 2kby h LYS 20 N 0.12 0.00 -0.08 0.39 1.63 -1.29 -1.56 116.57 115.77 2kby h LYS 20 Ca -0.03 0.00 -0.18 0.00 -0.85 0.00 0.00 60.65 59.60 2kby h LYS 20 Cb 1.11 0.00 0.01 0.00 -0.60 0.00 0.00 32.23 32.75 2kby h LYS 20 CO 0.10 0.09 -0.63 1.25 -3.45 0.00 0.00 179.45 176.80 2kby h LEU 21 N 0.00 0.70 -1.09 5.20 6.46 -1.14 -1.51 115.31 123.92 2kby h LEU 21 Ca -0.00 -0.67 0.03 0.00 -0.12 0.00 0.00 57.88 57.12 2kby h LEU 21 Cb 0.16 -0.21 -0.05 0.00 -0.73 0.00 0.00 40.66 39.83 2kby h LEU 21 CO 0.01 1.26 0.61 0.50 -0.62 0.00 0.00 178.44 180.21 2kby h LYS 22 N 0.19 1.15 -0.24 1.25 3.11 0.70 0.10 116.57 122.84 2kby h LYS 22 Ca -0.06 -0.07 -0.05 0.00 -2.81 0.00 0.00 60.65 57.67 2kby h LYS 22 Cb 1.29 -0.26 -0.01 0.00 -1.00 0.00 0.00 32.23 32.25 2kby h LYS 22 CO 0.13 0.76 -0.04 1.49 -2.81 0.00 0.00 179.45 178.98 2kby h GLU 23 N 1.19 0.45 -0.00 1.90 4.81 -1.29 -1.46 114.58 120.17 2kby h GLU 23 Ca 0.37 -0.16 -0.00 0.00 -0.13 0.00 0.00 59.36 59.43 2kby h GLU 23 Cb -0.01 -0.03 -0.00 0.00 0.63 0.00 0.00 28.75 29.34 2kby h GLU 23 CO -0.11 0.66 0.00 0.77 -0.73 0.00 0.00 179.01 179.60 2kby h SER 24 N 0.19 0.00 -0.39 1.04 0.02 -0.29 0.43 113.55 114.56 2kby h SER 24 Ca 0.06 -0.04 -0.03 0.00 -0.84 0.00 0.00 61.79 60.94 2kby h SER 24 Cb 0.48 -0.00 -0.02 0.00 0.14 0.00 0.00 62.40 63.01 2kby h SER 24 CO 0.02 0.04 0.11 -0.07 -1.14 0.00 0.00 176.83 175.79 2kby h LEU 25 N -0.03 0.57 -0.62 5.07 3.38 -0.87 -1.66 115.31 121.15 2kby h LEU 25 Ca 0.00 -0.21 -0.12 0.00 0.09 0.00 0.00 57.88 57.63 2kby h LEU 25 Cb 0.04 -0.15 -0.01 0.00 0.09 0.00 0.00 40.66 40.62 2kby h LEU 25 CO -0.00 0.63 -0.24 -0.33 0.09 0.00 0.00 178.44 178.59 2kby h GLU 26 N 0.48 0.84 0.00 1.13 5.08 -1.24 -2.58 114.58 118.30 2kby h GLU 26 Ca 0.12 -0.35 0.00 0.00 -1.00 0.00 0.00 59.36 58.13 2kby h GLU 26 Cb 0.27 -0.03 0.00 0.00 0.50 0.00 0.00 28.75 29.49 2kby h GLU 26 CO -0.00 0.99 0.00 -0.07 -1.00 0.00 0.00 179.01 178.93 2kby h LEU 27 N 0.72 0.00 -0.46 1.33 3.38 -0.66 -2.85 115.31 116.77 2kby h LEU 27 Ca 0.09 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.06 2kby h LEU 27 Cb 0.78 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.53 2kby h LEU 27 CO 0.06 0.00 0.00 0.23 0.09 0.00 0.00 178.44 178.82 2kby n MET 28 N -3.01 0.05 0.08 1.13 2.81 -0.65 -0.42 117.12 117.12 2kby n MET 28 Ca 0.00 0.50 0.12 0.00 -1.81 0.00 0.00 57.70 56.51 2kby n MET 28 Cb 0.26 -1.66 0.06 0.00 -0.71 0.00 0.00 33.22 31.18 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 -1.77 0.45 0.00 0.03 0.28 -1.07 -4.01 120.64 114.55 2kby n GLU 29 Ca 0.00 0.09 0.12 0.00 -0.16 0.00 0.00 57.16 57.21 2kby n GLU 29 Cb 0.05 -1.75 0.13 0.00 1.43 0.00 0.00 31.44 31.31 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 -2.38 2.51 -4.64 -1.84 -0.00 0.44 -4.85 117.00 106.24 2kby n LEU 30 Ca 0.01 -0.85 -0.37 0.00 -0.00 0.00 0.00 56.01 54.80 2kby n LEU 30 Cb 0.50 -0.01 -0.10 0.00 -0.00 0.00 0.00 43.42 43.81 2kby n LEU 30 CO 0.39 0.43 -0.16 0.54 -0.00 0.00 0.00 177.39 178.59 2kby s VAL 31 N -2.14 5.34 -0.24 1.47 0.11 -1.15 -5.02 120.40 118.76 2kby s VAL 31 Ca 0.26 0.21 -0.43 0.00 -2.93 0.00 0.00 61.98 59.09 2kby s VAL 31 Cb 0.20 -3.52 -0.19 0.00 -1.53 0.00 0.00 36.38 31.33 2kby s VAL 31 CO 0.38 0.31 1.38 -2.65 -3.33 0.00 0.00 175.10 171.20 2kby n PRO 32 N 4.50 0.18 -0.16 1.54 -0.02 -1.26 -4.77 135.00 135.02 2kby n PRO 32 Ca -0.14 0.07 -0.02 0.00 -2.02 0.00 0.00 63.50 61.38 2kby n PRO 32 Cb 0.52 -1.59 0.06 0.00 -0.02 0.00 0.00 33.50 32.47 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 4.35 0.19 -0.06 -0.52 5.75 -1.94 -1.11 115.11 121.77 2kby h GLN 33 Ca -0.47 -0.01 0.02 0.00 -0.15 0.00 0.00 58.65 58.03 2kby h GLN 33 Cb 1.39 -0.04 -0.00 0.00 1.07 0.00 0.00 27.48 29.89 2kby h GLN 33 CO 0.83 0.13 0.06 -1.35 -2.65 0.00 0.00 178.83 175.84 2kby h PRO 34 N 0.20 0.00 0.03 -2.39 0.11 -2.00 -0.71 132.00 127.24 2kby h PRO 34 Ca 0.25 0.00 -0.22 0.00 0.11 0.00 0.00 66.00 66.14 2kby h PRO 34 Cb 0.35 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 31.44 2kby h PRO 34 CO -0.35 0.00 -1.03 1.25 -0.21 0.00 0.00 178.00 177.65 2kby h LEU 35 N 0.00 0.14 -0.29 2.35 5.85 -1.58 -2.79 115.31 118.99 2kby h LEU 35 Ca 0.03 -0.14 -0.11 0.00 0.84 0.00 0.00 57.88 58.49 2kby h LEU 35 Cb 0.14 -0.05 -0.01 0.00 0.37 0.00 0.00 40.66 41.12 2kby h LEU 35 CO -0.00 1.08 -0.26 0.58 -0.34 0.00 0.00 178.44 179.49 2kby h VAL 36 N 0.03 1.30 -0.87 1.05 2.07 -0.51 -2.64 116.25 116.68 2kby h VAL 36 Ca -0.05 -1.43 0.04 0.00 0.82 0.00 0.00 66.70 66.09 2kby h VAL 36 Cb 1.77 1.56 -0.05 0.00 -1.52 0.00 0.00 31.29 33.04 2kby h VAL 36 CO 0.15 0.46 0.55 0.44 0.02 0.00 0.00 177.57 179.19 2kby h ASP 37 N 0.44 0.90 -0.65 0.57 3.32 -1.34 -0.37 116.42 119.30 2kby h ASP 37 Ca 0.05 0.00 0.02 0.00 0.02 0.00 0.00 57.03 57.12 2kby h ASP 37 Cb 0.83 -0.19 -0.04 0.00 0.22 0.00 0.00 39.33 40.15 2kby h ASP 37 CO 0.07 0.61 0.42 -1.28 -1.72 0.00 0.00 179.24 177.33 2kby h SER 38 N 1.05 0.70 -0.49 6.45 0.87 -1.34 -1.65 113.55 119.16 2kby h SER 38 Ca 0.36 -0.01 0.00 0.00 -1.23 0.00 0.00 61.79 60.91 2kby h SER 38 Cb 0.06 -0.17 -0.02 0.00 -0.44 0.00 0.00 62.40 61.83 2kby h SER 38 CO -0.14 0.50 0.32 0.22 -0.53 0.00 0.00 176.83 177.21 2kby h TYR 39 N 0.84 0.61 -0.72 2.24 3.20 -0.97 -1.99 116.97 120.18 2kby h TYR 39 Ca 0.25 0.01 0.10 0.00 3.14 0.00 0.00 58.73 62.23 2kby h TYR 39 Cb -0.05 -0.21 -0.05 0.00 1.54 0.00 0.00 36.73 37.97 2kby h TYR 39 CO -0.04 0.39 0.47 0.00 -1.64 0.00 0.00 178.16 177.35 2kby h ARG 40 N 0.66 0.57 0.19 1.82 3.08 -0.40 -0.04 114.38 120.26 2kby h ARG 40 Ca 0.18 -0.03 -0.01 0.00 0.07 0.00 0.00 59.98 60.18 2kby h ARG 40 Cb -0.07 -0.13 0.00 0.00 0.08 0.00 0.00 29.97 29.85 2kby h ARG 40 CO -0.04 0.38 -0.09 1.96 -1.07 0.00 0.00 179.97 181.11 2kby h GLN 41 N 0.59 -0.25 0.00 0.04 4.20 -0.56 0.55 115.11 119.68 2kby h GLN 41 Ca 0.33 0.02 -0.01 0.00 0.06 0.00 0.00 58.65 59.04 2kby h GLN 41 Cb 0.51 0.06 -0.00 0.00 0.30 0.00 0.00 27.48 28.34 2kby h GLN 41 CO -0.11 -0.15 -0.07 0.37 -0.67 0.00 0.00 178.83 178.20 2kby h GLN 42 N -0.28 0.00 0.08 1.46 4.15 -1.04 -1.43 115.11 118.05 2kby h GLN 42 Ca -0.03 0.00 -0.25 0.00 0.77 0.00 0.00 58.65 59.14 2kby h GLN 42 Cb 0.22 0.00 -0.01 0.00 0.21 0.00 0.00 27.48 27.90 2kby h GLN 42 CO 0.04 0.07 -1.18 0.37 -1.93 0.00 0.00 178.83 176.20 2kby h GLN 43 N 0.00 0.17 0.00 1.69 4.15 -0.19 -3.21 115.11 117.73 2kby h GLN 43 Ca -0.00 -0.30 -0.03 0.00 0.77 0.00 0.00 58.65 59.09 2kby h GLN 43 Cb 0.17 0.11 -0.00 0.00 0.21 0.00 0.00 27.48 27.97 2kby h GLN 43 CO 0.01 1.13 -0.13 0.37 -1.93 0.00 0.00 178.83 178.28 2kby h GLN 44 N 0.05 0.00 -0.24 1.69 5.75 0.11 -1.87 115.11 120.60 2kby h GLN 44 Ca -0.10 0.00 0.05 0.00 -0.15 0.00 0.00 58.65 58.45 2kby h GLN 44 Cb 1.91 0.00 -0.05 0.00 1.07 0.00 0.00 27.48 30.41 2kby h GLN 44 CO 0.17 0.13 -0.06 1.25 -2.65 0.00 0.00 178.83 177.68 2kby h LEU 45 N 0.00 -0.22 0.00 -2.39 5.85 -1.43 -3.40 115.31 113.72 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 0.59 0.15 0.00 0.00 0.37 0.00 0.00 40.66 41.77 2kby h LEU 45 CO 0.02 -0.08 0.00 0.18 -0.34 0.00 0.00 178.44 178.22 2kby n LEU 46 N -5.22 0.00 -2.50 2.25 7.99 -1.17 -4.99 117.00 113.37 2kby n LEU 46 Ca -0.01 0.00 -0.19 0.00 -0.01 0.00 0.00 56.01 55.80 2kby n LEU 46 Cb 0.14 -0.20 -0.00 0.00 -0.11 0.00 0.00 43.42 43.25 2kby n LEU 46 CO 0.22 -0.38 -0.21 1.67 -1.51 0.00 0.00 177.39 177.18 2kby n GLN 47 N -2.20 -2.20 0.00 3.23 0.00 -0.71 -5.12 117.38 110.37 2kby n GLN 47 Ca 0.00 0.88 0.00 0.00 -0.00 0.00 0.00 57.00 57.88 2kby n GLN 47 Cb 0.00 -5.56 0.00 0.00 0.00 0.00 0.00 30.24 24.68 2kby n GLN 47 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.06 177.60