#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 -0.67 0.28 -1.26 -5.14 120.64 113.86 2kby n GLU 2 Ca 0.00 -0.13 0.00 0.00 -0.16 0.00 0.00 57.16 56.87 2kby n GLU 2 Cb 0.00 0.10 0.00 0.00 1.43 0.00 0.00 31.44 32.97 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 -4.99 116.55 111.70 2kby n ASP 3 Ca -0.04 0.00 -0.38 0.00 0.71 0.00 0.00 54.79 55.08 2kby n ASP 3 Cb 0.39 0.00 -0.03 0.00 -0.02 0.00 0.00 41.12 41.45 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 0.20 3.39 0.29 -3.53 2.01 -1.26 -5.04 115.64 111.70 2kby s THR 4 Ca 0.00 1.20 0.06 0.00 0.31 0.00 0.00 61.69 63.26 2kby s THR 4 Cb 0.00 -3.69 -0.06 0.00 0.01 0.00 0.00 72.50 68.76 2kby s THR 4 CO 0.00 0.14 -0.03 -0.31 -0.69 0.00 0.00 174.62 173.73 2kby s TYR 5 N -1.41 1.94 -0.14 4.92 2.02 -1.26 -5.14 117.35 118.27 2kby s TYR 5 Ca 0.54 -0.76 -0.00 0.00 -0.37 0.00 0.00 57.07 56.47 2kby s TYR 5 Cb -0.29 -1.15 -0.01 0.00 -0.40 0.00 0.00 41.96 40.11 2kby s TYR 5 CO 0.36 0.21 -0.13 0.71 -1.57 0.00 0.00 175.55 175.13 2kby s TYR 6 N -3.09 2.81 -0.32 2.71 2.02 -1.26 -5.09 117.35 115.13 2kby s TYR 6 Ca 0.31 -0.82 -0.04 0.00 -0.37 0.00 0.00 57.07 56.16 2kby s TYR 6 Cb 0.05 -1.88 0.05 0.00 -0.40 0.00 0.00 41.96 39.78 2kby s TYR 6 CO 0.12 -0.33 0.05 -1.17 -1.57 0.00 0.00 175.55 172.65 2kby s LEU 7 N 0.60 4.11 -0.33 -1.29 2.96 -1.26 -5.07 118.68 118.39 2kby s LEU 7 Ca -0.08 -1.26 -0.27 0.00 -0.22 0.00 0.00 54.13 52.31 2kby s LEU 7 Cb -0.16 -1.77 0.01 0.00 0.50 0.00 0.00 46.19 44.77 2kby s LEU 7 CO 0.03 -0.30 0.98 -1.58 -1.32 0.00 0.00 176.35 174.16 2kby s GLN 8 N 1.30 3.97 -0.12 1.98 0.74 -1.26 -5.01 119.66 121.27 2kby s GLN 8 Ca -0.03 0.82 0.03 0.00 0.05 0.00 0.00 55.36 56.23 2kby s GLN 8 Cb -0.20 -3.76 0.01 0.00 1.10 0.00 0.00 33.01 30.16 2kby s GLN 8 CO 0.00 -0.88 -0.20 0.08 -0.55 0.00 0.00 175.29 173.74 2kby s VAL 9 N 3.48 1.87 -0.09 1.34 1.01 -1.26 -5.12 120.40 121.64 2kby s VAL 9 Ca 0.41 -0.88 -0.11 0.00 0.00 0.00 0.00 61.98 61.40 2kby s VAL 9 Cb -0.12 -1.66 -0.05 0.00 0.00 0.00 0.00 36.38 34.55 2kby s VAL 9 CO 0.16 0.51 0.27 -0.60 0.00 0.00 0.00 175.10 175.45 2kby s ARG 10 N 0.75 3.81 0.00 2.72 3.00 -1.26 -4.70 118.95 123.27 2kby s ARG 10 Ca -0.10 0.12 0.00 0.00 -1.00 0.00 0.00 55.73 54.75 2kby s ARG 10 Cb -0.16 -3.26 0.00 0.00 0.00 0.00 0.00 34.95 31.54 2kby s ARG 10 CO 0.01 0.62 0.00 0.41 0.00 0.00 0.00 175.30 176.34 2kby n GLY 11 N 2.25 -0.34 0.18 8.12 0.00 -1.26 -4.56 105.19 109.58 2kby n GLY 11 Ca -0.16 -1.14 -0.04 0.00 0.00 0.00 0.00 46.02 44.69 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 0.13 -0.52 1.61 9.65 -1.99 -0.75 114.38 122.52 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 28.49 2kby h ARG 12 CO 0.00 0.09 0.15 1.49 2.80 0.00 0.00 179.97 184.50 2kby h GLU 13 N 0.14 0.30 -0.29 0.20 4.57 -2.00 0.51 114.58 118.01 2kby h GLU 13 Ca 0.22 -0.02 -0.03 0.00 -1.18 0.00 0.00 59.36 58.35 2kby h GLU 13 Cb 0.31 -0.07 -0.01 0.00 -0.16 0.00 0.00 28.75 28.82 2kby h GLU 13 CO -0.34 0.20 0.07 -0.91 -1.18 0.00 0.00 179.01 176.85 2kby h ASN 14 N 0.31 0.44 -0.46 1.04 4.21 -1.68 -2.37 115.58 117.07 2kby h ASN 14 Ca 0.26 -0.23 0.03 0.00 1.21 0.00 0.00 56.30 57.57 2kby h ASN 14 Cb 0.31 -0.12 -0.04 0.00 -1.12 0.00 0.00 38.32 37.36 2kby h ASN 14 CO -0.29 0.55 0.25 0.15 -1.29 0.00 0.00 177.43 176.80 2kby h PHE 15 N 0.30 0.46 -0.45 1.19 3.57 -0.55 -1.70 116.94 119.76 2kby h PHE 15 Ca 0.09 0.02 -0.02 0.00 3.53 0.00 0.00 57.97 61.59 2kby h PHE 15 Cb 0.28 -0.14 -0.02 0.00 2.79 0.00 0.00 35.95 38.86 2kby h PHE 15 CO 0.01 0.24 0.21 0.93 -2.23 0.00 0.00 178.31 177.47 2kby h GLU 16 N 0.49 0.65 -0.49 1.11 5.08 -0.84 0.55 114.58 121.13 2kby h GLU 16 Ca 0.19 -0.10 -0.03 0.00 -1.00 0.00 0.00 59.36 58.43 2kby h GLU 16 Cb 0.07 -0.11 -0.02 0.00 0.50 0.00 0.00 28.75 29.19 2kby h GLU 16 CO -0.12 0.57 0.20 0.82 -1.00 0.00 0.00 179.01 179.48 2kby h ILE 17 N 0.58 1.21 -0.17 3.13 2.04 -1.19 -0.22 117.51 122.89 2kby h ILE 17 Ca 0.15 -0.64 -0.22 0.00 1.00 0.00 0.00 64.86 65.16 2kby h ILE 17 Cb 0.14 0.71 0.01 0.00 -0.74 0.00 0.00 36.82 36.94 2kby h ILE 17 CO -0.02 0.24 -0.74 -0.07 0.00 0.00 0.00 178.15 177.56 2kby h LEU 18 N 0.65 0.95 -0.20 1.44 3.38 -1.20 -2.39 115.31 117.96 2kby h LEU 18 Ca 0.16 -0.62 -0.00 0.00 0.09 0.00 0.00 57.88 57.52 2kby h LEU 18 Cb 0.19 -0.28 -0.01 0.00 0.09 0.00 0.00 40.66 40.65 2kby h LEU 18 CO -0.01 1.41 0.12 -0.03 0.09 0.00 0.00 178.44 180.01 2kby h MET 19 N 0.56 0.27 -0.94 1.13 4.05 0.23 0.60 114.93 120.81 2kby h MET 19 Ca -0.04 -0.03 0.04 0.00 -0.28 0.00 0.00 59.70 59.39 2kby h MET 19 Cb 1.37 -0.06 -0.06 0.00 -0.80 0.00 0.00 31.60 32.06 2kby h MET 19 CO 0.16 0.23 0.62 -0.22 0.23 0.00 0.00 176.91 177.92 2kby h LYS 20 N 0.23 1.14 -0.33 0.39 3.11 -1.08 -1.88 116.57 118.16 2kby h LYS 20 Ca 0.07 -0.07 -0.16 0.00 -2.81 0.00 0.00 60.65 57.68 2kby h LYS 20 Cb 0.03 -0.26 -0.01 0.00 -1.00 0.00 0.00 32.23 31.00 2kby h LYS 20 CO -0.01 0.75 -0.44 1.25 -2.81 0.00 0.00 179.45 178.20 2kby h LEU 21 N 1.18 0.90 -0.91 5.20 5.85 -0.82 -2.62 115.31 124.08 2kby h LEU 21 Ca 0.38 -0.43 0.12 0.00 0.84 0.00 0.00 57.88 58.79 2kby h LEU 21 Cb 0.03 -0.25 -0.08 0.00 0.37 0.00 0.00 40.66 40.73 2kby h LEU 21 CO -0.12 1.20 0.53 0.50 -0.34 0.00 0.00 178.44 180.22 2kby h LYS 22 N 0.67 0.81 -0.37 1.25 3.11 0.97 0.24 116.57 123.25 2kby h LYS 22 Ca 0.04 -0.05 -0.05 0.00 -2.81 0.00 0.00 60.65 57.78 2kby h LYS 22 Cb 1.01 -0.18 -0.01 0.00 -1.00 0.00 0.00 32.23 32.05 2kby h LYS 22 CO 0.10 0.54 0.02 0.93 -2.81 0.00 0.00 179.45 178.23 2kby h GLU 23 N 0.84 0.64 -0.23 1.90 5.08 -1.28 -0.19 114.58 121.35 2kby h GLU 23 Ca 0.46 -0.19 -0.01 0.00 -1.00 0.00 0.00 59.36 58.62 2kby h GLU 23 Cb 0.49 -0.06 -0.01 0.00 0.50 0.00 0.00 28.75 29.67 2kby h GLU 23 CO -0.28 0.73 0.12 0.66 -1.00 0.00 0.00 179.01 179.24 2kby h SER 24 N 0.47 0.29 -0.33 1.42 4.64 -0.68 0.30 113.55 119.66 2kby h SER 24 Ca 0.11 -0.10 -0.02 0.00 -0.47 0.00 0.00 61.79 61.30 2kby h SER 24 Cb 0.43 -0.07 -0.01 0.00 -0.31 0.00 0.00 62.40 62.43 2kby h SER 24 CO 0.01 0.31 0.13 -0.07 -0.87 0.00 0.00 176.83 176.34 2kby h LEU 25 N 0.25 0.47 -0.34 5.97 3.38 -0.57 -0.52 115.31 123.95 2kby h LEU 25 Ca 0.08 -0.17 -0.07 0.00 0.09 0.00 0.00 57.88 57.81 2kby h LEU 25 Cb 0.09 -0.12 -0.01 0.00 0.09 0.00 0.00 40.66 40.71 2kby h LEU 25 CO -0.01 0.51 -0.06 -0.33 0.09 0.00 0.00 178.44 178.64 2kby h GLU 26 N 0.39 0.64 -0.13 1.13 4.39 -0.94 -3.03 114.58 117.02 2kby h GLU 26 Ca 0.11 -0.23 -0.06 0.00 0.34 0.00 0.00 59.36 59.52 2kby h GLU 26 Cb 0.20 -0.04 -0.01 0.00 -0.10 0.00 0.00 28.75 28.80 2kby h GLU 26 CO -0.01 0.80 -0.19 -0.07 -1.16 0.00 0.00 179.01 178.38 2kby h LEU 27 N 0.42 0.21 -0.85 1.33 3.38 -0.33 -2.51 115.31 116.97 2kby h LEU 27 Ca 0.09 -0.05 0.00 0.00 0.09 0.00 0.00 57.88 58.01 2kby h LEU 27 Cb 0.55 -0.06 0.00 0.00 0.09 0.00 0.00 40.66 41.24 2kby h LEU 27 CO 0.03 0.42 0.15 0.80 0.09 0.00 0.00 178.44 179.93 2kby n MET 28 N -4.22 0.08 0.05 1.13 1.56 -0.21 -0.22 117.12 115.29 2kby n MET 28 Ca -0.01 0.55 0.03 0.00 -0.27 0.00 0.00 57.70 58.00 2kby n MET 28 Cb 0.31 -1.93 -0.06 0.00 2.15 0.00 0.00 33.22 33.69 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 -1.96 0.62 -0.05 2.12 0.28 -0.94 -3.96 120.64 116.75 2kby n GLU 29 Ca -0.01 0.18 0.12 0.00 -0.16 0.00 0.00 57.16 57.29 2kby n GLU 29 Cb 0.17 -1.80 0.46 0.00 1.43 0.00 0.00 31.44 31.70 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 -2.81 1.41 -4.64 -1.84 -0.00 0.69 -4.77 117.00 105.03 2kby n LEU 30 Ca -0.07 -0.55 -0.37 0.00 -0.00 0.00 0.00 56.01 55.02 2kby n LEU 30 Cb 0.76 -0.06 -0.10 0.00 -0.00 0.00 0.00 43.42 44.02 2kby n LEU 30 CO 0.42 0.27 -0.15 0.54 -0.00 0.00 0.00 177.39 178.47 2kby s VAL 31 N -1.88 5.34 -0.10 1.47 0.11 -1.17 -5.03 120.40 119.14 2kby s VAL 31 Ca 0.34 0.21 -0.41 0.00 -2.93 0.00 0.00 61.98 59.20 2kby s VAL 31 Cb 0.18 -3.52 -0.20 0.00 -1.53 0.00 0.00 36.38 31.31 2kby s VAL 31 CO 0.29 0.32 1.17 -2.65 -3.33 0.00 0.00 175.10 170.90 2kby n PRO 32 N 4.48 0.00 -0.18 1.54 -0.02 -1.26 -4.75 135.00 134.82 2kby n PRO 32 Ca -0.14 0.00 -0.01 0.00 -2.02 0.00 0.00 63.50 61.33 2kby n PRO 32 Cb 0.52 -1.49 0.07 0.00 -0.02 0.00 0.00 33.50 32.58 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 3.40 0.09 -0.32 -0.52 4.15 -1.94 -0.89 115.11 119.08 2kby h GLN 33 Ca -0.49 -0.01 0.09 0.00 0.77 0.00 0.00 58.65 59.01 2kby h GLN 33 Cb 1.41 -0.02 -0.01 0.00 0.21 0.00 0.00 27.48 29.07 2kby h GLN 33 CO 0.71 0.06 0.23 -1.00 -1.93 0.00 0.00 178.83 176.90 2kby h PRO 34 N 0.09 0.03 0.03 -2.39 0.13 -2.00 -0.73 132.00 127.15 2kby h PRO 34 Ca 0.28 -0.00 -0.22 0.00 -0.87 0.00 0.00 66.00 65.20 2kby h PRO 34 Cb 0.44 -0.01 -0.01 0.00 0.13 0.00 0.00 31.00 31.56 2kby h PRO 34 CO -0.49 0.02 -0.97 1.25 -0.23 0.00 0.00 178.00 177.57 2kby h LEU 35 N 0.03 0.27 -0.31 1.56 5.85 -1.52 -2.83 115.31 118.36 2kby h LEU 35 Ca 0.15 -0.24 -0.18 0.00 0.84 0.00 0.00 57.88 58.44 2kby h LEU 35 Cb 0.57 -0.09 -0.00 0.00 0.37 0.00 0.00 40.66 41.51 2kby h LEU 35 CO -0.01 1.09 -0.51 0.58 -0.34 0.00 0.00 178.44 179.25 2kby h VAL 36 N 0.09 1.27 -0.70 1.05 2.07 -0.69 -2.67 116.25 116.67 2kby h VAL 36 Ca -0.06 -1.69 0.04 0.00 0.82 0.00 0.00 66.70 65.80 2kby h VAL 36 Cb 1.64 1.57 -0.05 0.00 -1.52 0.00 0.00 31.29 32.94 2kby h VAL 36 CO 0.15 0.56 0.43 -0.78 0.02 0.00 0.00 177.57 177.95 2kby h ASP 37 N 0.70 0.70 -0.62 0.57 1.82 -1.19 -0.15 116.42 118.25 2kby h ASP 37 Ca 0.02 0.00 0.02 0.00 -0.39 0.00 0.00 57.03 56.69 2kby h ASP 37 Cb 1.12 -0.14 -0.04 0.00 0.68 0.00 0.00 39.33 40.95 2kby h ASP 37 CO 0.12 0.48 0.40 -1.28 -1.61 0.00 0.00 179.24 177.34 2kby h SER 38 N 0.84 0.67 -0.39 2.28 0.87 -1.39 -2.00 113.55 114.44 2kby h SER 38 Ca 0.29 -0.01 -0.01 0.00 -1.23 0.00 0.00 61.79 60.83 2kby h SER 38 Cb 0.05 -0.16 -0.02 0.00 -0.44 0.00 0.00 62.40 61.84 2kby h SER 38 CO -0.12 0.48 0.22 0.22 -0.53 0.00 0.00 176.83 177.09 2kby h TYR 39 N 0.80 0.53 -0.65 2.24 3.20 -1.02 -2.18 116.97 119.89 2kby h TYR 39 Ca 0.24 -0.01 0.12 0.00 3.14 0.00 0.00 58.73 62.22 2kby h TYR 39 Cb -0.04 -0.17 -0.04 0.00 1.54 0.00 0.00 36.73 38.02 2kby h TYR 39 CO -0.04 0.40 0.44 0.00 -1.64 0.00 0.00 178.16 177.32 2kby h ARG 40 N 0.50 0.35 -0.28 1.82 3.08 -0.58 0.88 114.38 120.15 2kby h ARG 40 Ca 0.14 -0.02 -0.04 0.00 0.07 0.00 0.00 59.98 60.12 2kby h ARG 40 Cb 0.04 -0.08 -0.01 0.00 0.08 0.00 0.00 29.97 30.00 2kby h ARG 40 CO -0.02 0.23 0.01 0.37 -1.07 0.00 0.00 179.97 179.48 2kby h GLN 41 N 0.36 0.48 0.00 0.04 4.15 -0.75 0.92 115.11 120.31 2kby h GLN 41 Ca 0.31 -0.15 -0.03 0.00 0.77 0.00 0.00 58.65 59.55 2kby h GLN 41 Cb 0.72 -0.05 -0.00 0.00 0.21 0.00 0.00 27.48 28.36 2kby h GLN 41 CO -0.08 0.63 -0.13 0.37 -1.93 0.00 0.00 178.83 177.70 2kby h GLN 42 N 0.27 0.00 0.07 1.69 5.75 -0.54 -2.22 115.11 120.13 2kby h GLN 42 Ca 0.08 0.00 -0.17 0.00 -0.15 0.00 0.00 58.65 58.40 2kby h GLN 42 Cb 0.41 0.00 0.02 0.00 1.07 0.00 0.00 27.48 28.98 2kby h GLN 42 CO 0.01 0.13 -0.73 0.37 -2.65 0.00 0.00 178.83 175.96 2kby h GLN 43 N 0.00 0.36 0.00 1.69 -0.00 -0.55 -3.22 115.11 113.39 2kby h GLN 43 Ca -0.00 -0.49 -0.00 0.00 -0.00 0.00 0.00 58.65 58.16 2kby h GLN 43 Cb 0.29 0.16 -0.00 0.00 0.00 0.00 0.00 27.48 27.93 2kby h GLN 43 CO 0.02 1.18 -0.02 1.96 0.00 0.00 0.00 178.83 181.97 2kby h GLN 44 N -0.22 0.00 -0.22 1.69 1.08 -0.39 -2.26 115.11 114.79 2kby h GLN 44 Ca -0.11 0.00 0.04 0.00 -1.45 0.00 0.00 58.65 57.13 2kby h GLN 44 Cb 1.50 0.00 -0.04 0.00 -0.05 0.00 0.00 27.48 28.89 2kby h GLN 44 CO 0.14 0.02 -0.03 1.25 -0.95 0.00 0.00 178.83 179.26 2kby h LEU 45 N 0.00 -0.15 -6.54 1.46 5.85 -1.42 -3.37 115.31 111.13 2kby h LEU 45 Ca -0.00 0.06 -0.58 0.00 0.84 0.00 0.00 57.88 58.19 2kby h LEU 45 Cb 0.07 0.11 -0.39 0.00 0.37 0.00 0.00 40.66 40.83 2kby h LEU 45 CO 0.00 -0.05 -0.88 -0.22 -0.34 0.00 0.00 178.44 176.96 2kby s LEU 46 N -10.40 1.15 -0.38 2.25 2.96 -0.86 -5.00 118.68 108.40 2kby s LEU 46 Ca -0.13 -2.43 -0.03 0.00 -0.22 0.00 0.00 54.13 51.32 2kby s LEU 46 Cb 0.10 -0.43 0.08 0.00 0.50 0.00 0.00 46.19 46.44 2kby s LEU 46 CO 0.69 -0.27 2.62 1.67 -1.32 0.00 0.00 176.35 179.73 2kby n GLN 47 N 3.72 2.19 0.00 1.98 0.00 -1.15 -4.92 117.38 119.21 2kby n GLN 47 Ca 0.16 -2.01 0.00 0.00 -0.00 0.00 0.00 57.00 55.15 2kby n GLN 47 Cb 0.40 -1.98 0.00 0.00 0.00 0.00 0.00 30.24 28.66 2kby n GLN 47 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.06 177.60