#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2cpg s LYS 2 N 0.00 4.34 -0.05 0.03 -0.14 -1.26 -5.08 119.74 117.57 2cpg s LYS 2 Ca 0.00 1.09 0.03 0.00 -1.36 0.00 0.00 55.97 55.73 2cpg s LYS 2 Cb 0.00 -2.58 0.01 0.00 -1.68 0.00 0.00 37.83 33.58 2cpg s LYS 2 CO 0.00 0.19 -0.14 0.15 -0.76 0.00 0.00 175.35 174.79 2cpg s LYS 3 N -2.50 1.65 -0.15 1.68 -0.14 -1.26 -5.12 119.74 113.90 2cpg s LYS 3 Ca 0.53 -0.48 -0.05 0.00 -1.36 0.00 0.00 55.97 54.61 2cpg s LYS 3 Cb -0.14 -1.40 -0.04 0.00 -1.68 0.00 0.00 37.83 34.57 2cpg s LYS 3 CO 0.19 0.12 0.04 0.50 -0.76 0.00 0.00 175.35 175.44 2cpg s ARG 4 N 0.36 3.64 0.08 1.68 3.52 -1.26 -5.09 118.95 121.87 2cpg s ARG 4 Ca -0.09 -0.37 -0.14 0.00 -0.13 0.00 0.00 55.73 55.00 2cpg s ARG 4 Cb -0.13 -3.06 0.02 0.00 -1.56 0.00 0.00 34.95 30.22 2cpg s ARG 4 CO 0.03 0.42 0.31 -0.48 -0.81 0.00 0.00 175.30 174.77 2cpg s LEU 5 N -0.06 0.83 -0.14 -0.88 2.34 -1.26 -5.14 118.68 114.37 2cpg s LEU 5 Ca 0.05 -0.31 -0.00 0.00 0.06 0.00 0.00 54.13 53.93 2cpg s LEU 5 Cb -0.12 1.45 -0.01 0.00 -0.56 0.00 0.00 46.19 46.94 2cpg s LEU 5 CO 0.01 -0.71 -0.13 -0.89 -1.06 0.00 0.00 176.35 173.57 2cpg s THR 6 N -3.18 3.00 0.31 5.48 2.01 -1.26 -5.10 115.64 116.90 2cpg s THR 6 Ca -0.01 -0.67 0.09 0.00 0.31 0.00 0.00 61.69 61.41 2cpg s THR 6 Cb 0.01 -2.26 -0.05 0.00 0.01 0.00 0.00 72.50 70.21 2cpg s THR 6 CO -0.07 0.52 -0.00 0.27 -0.69 0.00 0.00 174.62 174.64 2cpg s ILE 7 N 0.47 2.87 -0.12 1.82 -4.36 -1.26 -5.14 121.20 115.48 2cpg s ILE 7 Ca -0.09 -1.98 0.03 0.00 -0.26 0.00 0.00 60.65 58.34 2cpg s ILE 7 Cb -0.16 -2.77 0.00 0.00 1.25 0.00 0.00 42.46 40.78 2cpg s ILE 7 CO 0.05 -0.27 -0.22 -0.89 0.24 0.00 0.00 174.94 173.85 2cpg s THR 8 N -2.46 2.20 0.08 8.37 2.01 -1.26 -5.13 115.64 119.46 2cpg s THR 8 Ca 0.34 -0.96 0.07 0.00 0.31 0.00 0.00 61.69 61.45 2cpg s THR 8 Cb -0.03 -1.86 -0.03 0.00 0.01 0.00 0.00 72.50 70.59 2cpg s THR 8 CO 0.19 0.55 -0.19 -0.76 -0.69 0.00 0.00 174.62 173.73 2cpg s LEU 9 N 0.49 2.26 0.66 4.42 1.43 -1.26 -5.13 118.68 121.55 2cpg s LEU 9 Ca -0.14 -0.62 -0.17 0.00 -1.03 0.00 0.00 54.13 52.16 2cpg s LEU 9 Cb -0.17 -0.78 -0.00 0.00 0.03 0.00 0.00 46.19 45.27 2cpg s LEU 9 CO 0.05 0.04 1.27 -0.44 0.23 0.00 0.00 176.35 177.50 2cpg s SER 10 N -1.67 4.56 0.25 2.29 0.01 -1.26 -4.81 113.70 113.07 2cpg s SER 10 Ca 0.04 2.54 -0.04 0.00 1.31 0.00 0.00 55.95 59.81 2cpg s SER 10 Cb -0.10 -2.61 0.48 0.00 0.21 0.00 0.00 66.02 64.00 2cpg s SER 10 CO 0.03 -2.03 1.73 -0.08 0.41 0.00 0.00 173.24 173.30 2cpg h GLU 11 N 0.39 0.42 -0.75 12.44 4.81 -2.00 -0.99 114.58 128.91 2cpg h GLU 11 Ca -0.50 -0.03 -0.02 0.00 -0.13 0.00 0.00 59.36 58.68 2cpg h GLU 11 Cb 1.32 -0.10 -0.04 0.00 0.63 0.00 0.00 28.75 30.57 2cpg h GLU 11 CO 0.52 0.28 0.38 0.66 -0.73 0.00 0.00 179.01 180.13 2cpg h SER 12 N 0.44 0.95 -0.20 1.04 4.64 -1.99 0.07 113.55 118.50 2cpg h SER 12 Ca 0.42 -0.09 -0.21 0.00 -0.47 0.00 0.00 61.79 61.45 2cpg h SER 12 Cb 0.66 -0.24 0.01 0.00 -0.31 0.00 0.00 62.40 62.51 2cpg h SER 12 CO -0.42 0.79 -0.67 0.58 -0.87 0.00 0.00 176.83 176.24 2cpg h VAL 13 N 1.06 1.28 -0.41 0.95 2.07 -1.72 -1.45 116.25 118.02 2cpg h VAL 13 Ca 0.26 -1.86 -0.12 0.00 0.82 0.00 0.00 66.70 65.80 2cpg h VAL 13 Cb 0.07 1.82 -0.01 0.00 -1.52 0.00 0.00 31.29 31.64 2cpg h VAL 13 CO -0.04 0.60 -0.24 0.25 0.02 0.00 0.00 177.57 178.16 2cpg h LEU 14 N 0.60 0.86 -0.64 2.57 5.85 -0.97 0.15 115.31 123.73 2cpg h LEU 14 Ca -0.02 -0.32 -0.08 0.00 0.84 0.00 0.00 57.88 58.29 2cpg h LEU 14 Cb 1.29 -0.24 -0.02 0.00 0.37 0.00 0.00 40.66 42.06 2cpg h LEU 14 CO 0.14 1.06 0.08 -0.33 -0.34 0.00 0.00 178.44 179.05 2cpg h GLU 15 N 0.72 1.07 -0.37 1.25 5.08 -0.87 -1.40 114.58 120.06 2cpg h GLU 15 Ca 0.09 -0.30 -0.12 0.00 -1.00 0.00 0.00 59.36 58.03 2cpg h GLU 15 Cb 0.77 -0.12 -0.01 0.00 0.50 0.00 0.00 28.75 29.89 2cpg h GLU 15 CO 0.06 1.00 -0.26 -0.97 -1.00 0.00 0.00 179.01 177.85 2cpg h ASN 16 N 0.98 0.78 -0.50 1.42 -0.73 -0.96 -1.94 115.58 114.64 2cpg h ASN 16 Ca 0.19 -0.30 0.08 0.00 1.87 0.00 0.00 56.30 58.14 2cpg h ASN 16 Cb 0.47 -0.22 -0.06 0.00 0.27 0.00 0.00 38.32 38.78 2cpg h ASN 16 CO 0.02 1.00 0.14 0.25 -0.37 0.00 0.00 177.43 178.47 2cpg h LEU 17 N 0.66 0.09 -0.86 0.34 5.85 -0.43 0.03 115.31 120.99 2cpg h LEU 17 Ca 0.08 0.08 -0.04 0.00 0.84 0.00 0.00 57.88 58.84 2cpg h LEU 17 Cb 0.78 0.09 -0.04 0.00 0.37 0.00 0.00 40.66 41.86 2cpg h LEU 17 CO 0.06 0.07 0.34 -0.08 -0.34 0.00 0.00 178.44 178.50 2cpg h GLU 18 N 0.29 1.17 -0.15 1.25 4.57 -1.03 -0.10 114.58 120.59 2cpg h GLU 18 Ca 0.25 -0.20 -0.01 0.00 -1.18 0.00 0.00 59.36 58.22 2cpg h GLU 18 Cb 0.31 -0.20 -0.01 0.00 -0.16 0.00 0.00 28.75 28.69 2cpg h GLU 18 CO -0.29 0.93 0.04 -0.22 -1.18 0.00 0.00 179.01 178.29 2cpg h LYS 19 N 1.15 0.23 -0.54 1.92 3.64 -0.78 0.32 116.57 122.52 2cpg h LYS 19 Ca 0.27 -0.06 -0.02 0.00 -1.27 0.00 0.00 60.65 59.57 2cpg h LYS 19 Cb 0.18 -0.03 -0.02 0.00 -0.41 0.00 0.00 32.23 31.95 2cpg h LYS 19 CO -0.03 0.39 0.25 0.52 -2.27 0.00 0.00 179.45 178.31 2cpg h MET 20 N 0.04 0.79 -0.46 1.90 2.86 -0.85 0.96 114.93 120.16 2cpg h MET 20 Ca 0.05 -0.12 -0.01 0.00 -2.06 0.00 0.00 59.70 57.56 2cpg h MET 20 Cb 0.26 -0.14 -0.02 0.00 0.06 0.00 0.00 31.60 31.76 2cpg h MET 20 CO 0.00 0.66 0.26 0.00 1.06 0.00 0.00 176.91 178.89 2cpg h ALA 21 N 1.09 0.59 -0.67 6.32 0.00 -0.88 -1.73 119.26 123.98 2cpg h ALA 21 Ca 0.18 -0.08 -0.08 0.00 0.00 0.00 0.00 54.91 54.94 2cpg h ALA 21 Cb 0.14 -0.19 -0.03 0.00 0.00 0.00 0.00 17.79 17.71 2cpg h ALA 21 CO -0.02 0.11 0.12 0.00 0.00 0.00 0.00 179.25 179.46 2cpg h ARG 22 N 0.61 1.10 -0.49 0.00 3.08 -0.73 -0.56 114.38 117.40 2cpg h ARG 22 Ca 0.16 -0.29 -0.02 0.00 0.07 0.00 0.00 59.98 59.90 2cpg h ARG 22 Cb 0.04 -0.13 -0.02 0.00 0.08 0.00 0.00 29.97 29.93 2cpg h ARG 22 CO -0.03 1.00 0.20 0.93 -1.07 0.00 0.00 179.97 181.01 2cpg h GLU 23 N 1.02 0.70 -0.01 0.04 5.08 -0.42 -2.68 114.58 118.31 2cpg h GLU 23 Ca 0.20 -0.09 0.00 0.00 -1.00 0.00 0.00 59.36 58.47 2cpg h GLU 23 Cb 0.43 -0.13 0.00 0.00 0.50 0.00 0.00 28.75 29.55 2cpg h GLU 23 CO 0.01 0.57 -0.15 -1.33 -1.00 0.00 0.00 179.01 177.11 2cpg n MET 24 N -4.36 1.23 -2.24 2.33 2.81 -0.69 -4.96 117.12 111.24 2cpg n MET 24 Ca 0.04 -0.74 -0.15 0.00 -1.81 0.00 0.00 57.70 55.03 2cpg n MET 24 Cb 0.15 -1.48 -0.01 0.00 -0.71 0.00 0.00 33.22 31.16 2cpg n MET 24 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 2cpg n GLY 25 N 1.28 -0.15 3.77 3.03 0.00 -0.36 -5.02 105.19 107.74 2cpg n GLY 25 Ca 0.15 -0.24 -0.30 0.00 0.00 0.00 0.00 46.02 45.62 2cpg n GLY 25 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2cpg s LEU 26 N -4.35 3.79 0.85 0.99 1.43 -0.37 -5.03 118.68 115.99 2cpg s LEU 26 Ca 0.00 -0.02 -0.11 0.00 -1.03 0.00 0.00 54.13 52.97 2cpg s LEU 26 Cb 0.00 -2.47 0.11 0.00 0.03 0.00 0.00 46.19 43.86 2cpg s LEU 26 CO 0.00 0.17 1.13 -0.94 0.23 0.00 0.00 176.35 176.94 2cpg s SER 27 N -2.44 3.55 0.42 2.29 1.04 -1.26 -4.39 113.70 112.91 2cpg s SER 27 Ca 0.29 2.09 0.12 0.00 0.48 0.00 0.00 55.95 58.93 2cpg s SER 27 Cb -0.12 -2.56 0.90 0.00 0.10 0.00 0.00 66.02 64.35 2cpg s SER 27 CO 0.22 -2.68 1.97 0.11 0.98 0.00 0.00 173.24 173.84 2cpg h LYS 28 N -1.47 0.16 -0.64 4.02 1.57 -1.93 0.36 116.57 118.64 2cpg h LYS 28 Ca -0.44 -0.03 -0.07 0.00 -1.87 0.00 0.00 60.65 58.24 2cpg h LYS 28 Cb 1.26 -0.03 -0.03 0.00 0.08 0.00 0.00 32.23 33.52 2cpg h LYS 28 CO 0.45 0.28 0.13 0.77 -0.57 0.00 0.00 179.45 180.51 2cpg h SER 29 N 0.16 0.98 -0.30 0.86 0.02 -1.99 0.24 113.55 113.52 2cpg h SER 29 Ca 0.03 -0.21 -0.16 0.00 -0.84 0.00 0.00 61.79 60.61 2cpg h SER 29 Cb 0.29 -0.26 -0.00 0.00 0.14 0.00 0.00 62.40 62.57 2cpg h SER 29 CO 0.02 0.96 -0.44 0.00 -1.14 0.00 0.00 176.83 176.23 2cpg h ALA 30 N 1.16 0.46 -0.48 3.77 0.00 -1.81 -1.03 119.26 121.33 2cpg h ALA 30 Ca 0.20 -0.47 0.00 0.00 0.00 0.00 0.00 54.91 54.64 2cpg h ALA 30 Cb 0.39 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 18.07 2cpg h ALA 30 CO 0.01 0.60 0.30 1.98 0.00 0.00 0.00 179.25 182.14 2cpg h MET 31 N 0.61 0.64 -0.91 0.00 -1.53 -0.72 0.12 114.93 113.14 2cpg h MET 31 Ca 0.03 -0.05 -0.01 0.00 -3.44 0.00 0.00 59.70 56.24 2cpg h MET 31 Cb 1.04 -0.14 -0.04 0.00 -0.55 0.00 0.00 31.60 31.91 2cpg h MET 31 CO 0.10 0.45 0.54 0.82 0.14 0.00 0.00 176.91 178.96 2cpg h ILE 32 N 0.64 1.25 -0.58 1.77 2.04 -0.87 -0.51 117.51 121.26 2cpg h ILE 32 Ca 0.17 -0.55 -0.02 0.00 1.00 0.00 0.00 64.86 65.47 2cpg h ILE 32 Cb -0.04 -0.02 -0.03 0.00 -0.74 0.00 0.00 36.82 35.99 2cpg h ILE 32 CO -0.04 0.26 0.30 0.28 0.00 0.00 0.00 178.15 178.96 2cpg h SER 33 N 1.25 0.74 -0.53 1.72 0.02 -0.60 0.20 113.55 116.34 2cpg h SER 33 Ca 0.33 -0.11 -0.01 0.00 -0.84 0.00 0.00 61.79 61.15 2cpg h SER 33 Cb -0.05 -0.19 -0.02 0.00 0.14 0.00 0.00 62.40 62.28 2cpg h SER 33 CO -0.06 0.64 0.28 0.58 -1.14 0.00 0.00 176.83 177.12 2cpg h VAL 34 N 0.78 1.19 -0.46 2.27 2.07 -0.51 -1.53 116.25 120.06 2cpg h VAL 34 Ca 0.20 -0.51 -0.01 0.00 0.82 0.00 0.00 66.70 67.20 2cpg h VAL 34 Cb 0.08 0.55 -0.02 0.00 -1.52 0.00 0.00 31.29 30.38 2cpg h VAL 34 CO -0.03 0.21 0.24 0.00 0.02 0.00 0.00 177.57 178.01 2cpg h ALA 35 N 1.11 0.59 -0.81 1.67 0.00 -0.64 0.24 119.26 121.41 2cpg h ALA 35 Ca 0.19 -0.10 -0.02 0.00 0.00 0.00 0.00 54.91 54.97 2cpg h ALA 35 Cb 0.08 -0.18 -0.04 0.00 0.00 0.00 0.00 17.79 17.65 2cpg h ALA 35 CO -0.03 0.13 0.42 -0.07 0.00 0.00 0.00 179.25 179.70 2cpg h LEU 36 N 0.60 1.04 -0.28 0.00 3.38 -0.33 -0.61 115.31 119.12 2cpg h LEU 36 Ca 0.16 -0.11 -0.21 0.00 0.09 0.00 0.00 57.88 57.81 2cpg h LEU 36 Cb 0.08 -0.27 0.00 0.00 0.09 0.00 0.00 40.66 40.57 2cpg h LEU 36 CO -0.02 0.86 -0.78 -0.33 0.09 0.00 0.00 178.44 178.26 2cpg h GLU 37 N 1.14 0.57 -0.11 1.13 4.39 -1.03 -0.99 114.58 119.68 2cpg h GLU 37 Ca 0.28 -0.48 0.02 0.00 0.34 0.00 0.00 59.36 59.53 2cpg h GLU 37 Cb 0.07 0.10 -0.02 0.00 -0.10 0.00 0.00 28.75 28.80 2cpg h GLU 37 CO -0.04 1.11 -0.04 -0.97 -1.16 0.00 0.00 179.01 177.90 2cpg h ASN 38 N 0.38 -0.14 -0.22 1.42 -1.24 -0.76 -0.30 115.58 114.72 2cpg h ASN 38 Ca -0.05 0.04 0.02 0.00 0.71 0.00 0.00 56.30 57.02 2cpg h ASN 38 Cb 1.38 0.08 -0.02 0.00 0.73 0.00 0.00 38.32 40.49 2cpg h ASN 38 CO 0.14 -0.06 0.08 0.22 -1.29 0.00 0.00 177.43 176.52 2cpg h TYR 39 N -0.03 0.14 -0.72 0.67 3.20 -1.02 0.21 116.97 119.42 2cpg h TYR 39 Ca 0.06 0.01 0.04 0.00 3.14 0.00 0.00 58.73 61.98 2cpg h TYR 39 Cb 0.11 -0.03 -0.05 0.00 1.54 0.00 0.00 36.73 38.30 2cpg h TYR 39 CO -0.17 0.06 0.44 -0.22 -1.64 0.00 0.00 178.16 176.64 2cpg h LYS 40 N 0.18 0.82 0.00 1.82 3.64 -0.86 -1.96 116.57 120.21 2cpg h LYS 40 Ca 0.10 -0.05 -0.14 0.00 -1.27 0.00 0.00 60.65 59.29 2cpg h LYS 40 Cb 0.07 -0.18 -0.02 0.00 -0.41 0.00 0.00 32.23 31.68 2cpg h LYS 40 CO -0.10 0.54 -0.66 0.87 -2.27 0.00 0.00 179.45 177.83 2cpg h LYS 41 N 0.84 0.00 0.00 1.90 1.57 -0.78 -0.52 116.57 119.58 2cpg h LYS 41 Ca 0.30 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.08 2cpg h LYS 41 Cb 0.08 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.39 2cpg h LYS 41 CO -0.14 0.66 0.00 0.41 -0.57 0.00 0.00 179.45 179.81 2cpg n GLY 42 N 0.77 -1.08 0.00 3.86 0.00 0.04 -3.74 105.19 105.04 2cpg n GLY 42 Ca 0.00 -0.07 0.00 0.00 0.00 0.00 0.00 46.02 45.95 2cpg n GLY 42 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2cpg n GLN 43 N -1.44 3.92 -3.69 1.61 0.00 -1.09 -5.07 117.38 111.61 2cpg n GLN 43 Ca 0.06 0.00 -0.10 0.00 0.00 0.00 0.00 57.00 56.96 2cpg n GLN 43 Cb 0.20 -0.54 -0.05 0.00 0.00 0.00 0.00 30.24 29.85 2cpg n GLN 43 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 177.06 175.06 2cpg s GLU 44 N -0.49 1.14 0.00 2.61 -6.30 -0.22 -5.12 118.70 110.33 2cpg s GLU 44 Ca 0.00 -0.79 0.00 0.00 -2.50 0.00 0.00 54.97 51.68 2cpg s GLU 44 Cb 0.00 0.47 0.00 0.00 0.00 0.00 0.00 34.13 34.60 2cpg s GLU 44 CO 0.00 -0.45 0.50 -2.13 0.02 0.00 0.00 175.26 173.20