#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1b01 s LYS 2 N 0.00 3.56 0.06 0.03 -0.14 -1.26 -5.11 119.74 116.88 1b01 s LYS 2 Ca 0.00 -0.30 0.06 0.00 -1.36 0.00 0.00 55.97 54.37 1b01 s LYS 2 Cb 0.00 -3.09 -0.03 0.00 -1.68 0.00 0.00 37.83 33.03 1b01 s LYS 2 CO 0.00 0.53 -0.18 0.15 -0.76 0.00 0.00 175.35 175.09 1b01 s LYS 3 N -0.35 1.11 0.36 1.68 1.02 -1.26 -5.15 119.74 117.14 1b01 s LYS 3 Ca 0.09 -0.94 0.01 0.00 0.02 0.00 0.00 55.97 55.15 1b01 s LYS 3 Cb -0.12 -1.21 -0.03 0.00 -0.52 0.00 0.00 37.83 35.95 1b01 s LYS 3 CO 0.02 0.30 0.56 1.03 -0.92 0.00 0.00 175.35 176.33 1b01 s ARG 4 N -1.41 3.40 -0.25 1.68 0.52 -1.26 -5.10 118.95 116.53 1b01 s ARG 4 Ca 0.04 -0.40 -0.27 0.00 -0.52 0.00 0.00 55.73 54.58 1b01 s ARG 4 Cb -0.09 -2.66 0.14 0.00 0.52 0.00 0.00 34.95 32.86 1b01 s ARG 4 CO 0.02 0.09 1.13 -0.48 0.02 0.00 0.00 175.30 176.08 1b01 s LEU 5 N -4.34 -0.32 -0.19 2.53 2.34 -1.26 -5.15 118.68 112.29 1b01 s LEU 5 Ca 0.41 0.52 -0.03 0.00 0.06 0.00 0.00 54.13 55.09 1b01 s LEU 5 Cb -0.10 1.67 -0.01 0.00 -0.56 0.00 0.00 46.19 47.18 1b01 s LEU 5 CO 0.36 -0.17 -0.05 -0.89 -1.06 0.00 0.00 176.35 174.54 1b01 s THR 6 N -0.30 3.49 0.34 5.48 2.01 -1.26 -5.10 115.64 120.30 1b01 s THR 6 Ca 0.03 -0.47 0.08 0.00 0.31 0.00 0.00 61.69 61.64 1b01 s THR 6 Cb -0.03 -2.56 -0.04 0.00 0.01 0.00 0.00 72.50 69.88 1b01 s THR 6 CO -0.06 0.45 0.15 0.27 -0.69 0.00 0.00 174.62 174.74 1b01 s ILE 7 N 1.06 3.09 -0.10 1.82 -4.36 -1.26 -5.13 121.20 116.32 1b01 s ILE 7 Ca 0.01 -1.68 0.04 0.00 -0.26 0.00 0.00 60.65 58.75 1b01 s ILE 7 Cb -0.15 -2.99 0.00 0.00 1.25 0.00 0.00 42.46 40.58 1b01 s ILE 7 CO 0.00 -0.19 -0.22 -0.89 0.24 0.00 0.00 174.94 173.88 1b01 s THR 8 N -2.41 1.91 0.07 8.37 2.01 -1.26 -5.14 115.64 119.19 1b01 s THR 8 Ca 0.37 -0.92 0.02 0.00 0.31 0.00 0.00 61.69 61.47 1b01 s THR 8 Cb -0.03 -1.66 -0.03 0.00 0.01 0.00 0.00 72.50 70.79 1b01 s THR 8 CO 0.23 0.53 -0.07 -0.76 -0.69 0.00 0.00 174.62 173.85 1b01 s LEU 9 N 0.45 2.39 0.29 4.42 1.43 -1.26 -5.12 118.68 121.27 1b01 s LEU 9 Ca -0.17 -0.79 -0.30 0.00 -1.03 0.00 0.00 54.13 51.84 1b01 s LEU 9 Cb -0.17 -0.13 -0.12 0.00 0.03 0.00 0.00 46.19 45.79 1b01 s LEU 9 CO 0.07 -0.33 1.51 -0.24 0.23 0.00 0.00 176.35 177.59 1b01 n SER 10 N 0.68 3.47 0.23 2.29 2.88 -1.26 -4.75 113.62 117.15 1b01 n SER 10 Ca -0.17 1.16 0.17 0.00 -1.33 0.00 0.00 58.87 58.69 1b01 n SER 10 Cb 0.58 -1.54 0.75 0.00 -0.75 0.00 0.00 64.21 63.25 1b01 n SER 10 CO 0.00 0.00 0.00 -0.08 -1.23 0.00 0.00 175.04 173.73 1b01 h GLU 11 N 4.31 0.00 0.00 -1.46 4.81 -2.00 0.28 114.58 120.52 1b01 h GLU 11 Ca -0.47 0.00 -0.24 0.00 -0.13 0.00 0.00 59.36 58.53 1b01 h GLU 11 Cb 1.24 0.00 -0.04 0.00 0.63 0.00 0.00 28.75 30.58 1b01 h GLU 11 CO 0.76 0.00 -1.72 0.45 -0.73 0.00 0.00 179.01 177.77 1b01 n SER 12 N -3.21 0.66 0.09 1.04 2.88 -1.26 -2.87 113.62 110.95 1b01 n SER 12 Ca 0.02 0.30 -0.14 0.00 -1.33 0.00 0.00 58.87 57.72 1b01 n SER 12 Cb 0.52 0.34 -0.08 0.00 -0.75 0.00 0.00 64.21 64.23 1b01 n SER 12 CO 0.00 0.00 0.00 0.58 -1.23 0.00 0.00 175.04 174.39 1b01 h VAL 13 N 0.00 1.46 -0.31 2.46 2.07 -0.94 -2.53 116.25 118.47 1b01 h VAL 13 Ca -0.26 -2.75 -0.18 0.00 0.82 0.00 0.00 66.70 64.32 1b01 h VAL 13 Cb 1.81 2.66 -0.00 0.00 -1.52 0.00 0.00 31.29 34.25 1b01 h VAL 13 CO 0.05 0.81 -0.51 0.25 0.02 0.00 0.00 177.57 178.19 1b01 h LEU 14 N 0.14 0.98 -1.57 2.57 5.85 -0.92 0.53 115.31 122.89 1b01 h LEU 14 Ca -0.10 -0.52 -0.04 0.00 0.84 0.00 0.00 57.88 58.06 1b01 h LEU 14 Cb 1.75 -0.28 -0.01 0.00 0.37 0.00 0.00 40.66 42.49 1b01 h LEU 14 CO 0.18 1.32 -0.20 -0.33 -0.34 0.00 0.00 178.44 179.06 1b01 h GLU 15 N 0.68 0.02 0.09 1.25 5.08 -1.55 -1.43 114.58 118.72 1b01 h GLU 15 Ca 0.02 -0.00 -0.25 0.00 -1.00 0.00 0.00 59.36 58.13 1b01 h GLU 15 Cb 1.12 -0.00 0.02 0.00 0.50 0.00 0.00 28.75 30.40 1b01 h GLU 15 CO 0.12 0.22 -1.03 -0.97 -1.00 0.00 0.00 179.01 176.35 1b01 h ASN 16 N 0.02 0.75 -0.34 1.42 -1.24 -1.12 -3.13 115.58 111.94 1b01 h ASN 16 Ca 0.00 -0.83 0.07 0.00 0.71 0.00 0.00 56.30 56.25 1b01 h ASN 16 Cb 0.37 -0.23 -0.09 0.00 0.73 0.00 0.00 38.32 39.10 1b01 h ASN 16 CO 0.03 1.50 -0.35 0.25 -1.29 0.00 0.00 177.43 177.56 1b01 h LEU 17 N 0.10 -1.15 -0.34 0.34 5.85 -0.29 -1.70 115.31 118.11 1b01 h LEU 17 Ca -0.16 0.19 0.03 0.00 0.84 0.00 0.00 57.88 58.78 1b01 h LEU 17 Cb 1.74 0.52 -0.04 0.00 0.37 0.00 0.00 40.66 43.25 1b01 h LEU 17 CO 0.20 -0.34 -0.20 1.21 -0.34 0.00 0.00 178.44 178.96 1b01 n GLU 18 N -5.42 -0.15 -0.04 1.25 4.07 -0.60 -1.21 120.64 118.55 1b01 n GLU 18 Ca -0.00 1.12 -0.11 0.00 -0.06 0.00 0.00 57.16 58.11 1b01 n GLU 18 Cb 0.34 -1.66 -0.05 0.00 -0.06 0.00 0.00 31.44 30.01 1b01 n GLU 18 CO 0.00 0.00 0.00 -0.22 -0.06 0.00 0.00 177.13 176.85 1b01 h LYS 19 N 0.00 -0.39 -0.07 5.31 3.64 -1.37 0.44 116.57 124.14 1b01 h LYS 19 Ca 0.05 0.03 0.04 0.00 -1.27 0.00 0.00 60.65 59.50 1b01 h LYS 19 Cb 0.14 0.09 -0.06 0.00 -0.41 0.00 0.00 32.23 31.99 1b01 h LYS 19 CO -0.32 -0.26 -0.32 0.52 -2.27 0.00 0.00 179.45 176.80 1b01 h MET 20 N -0.40 -0.42 -0.62 1.90 2.86 -0.62 -0.17 114.93 117.46 1b01 h MET 20 Ca 0.11 0.03 0.03 0.00 -2.06 0.00 0.00 59.70 57.81 1b01 h MET 20 Cb 0.59 0.09 -0.04 0.00 0.06 0.00 0.00 31.60 32.30 1b01 h MET 20 CO -0.44 -0.28 0.37 0.00 1.06 0.00 0.00 176.91 177.63 1b01 h ALA 21 N 0.34 0.81 0.01 6.32 0.00 -0.98 -1.88 119.26 123.87 1b01 h ALA 21 Ca 0.08 -0.01 0.03 0.00 0.00 0.00 0.00 54.91 55.01 1b01 h ALA 21 Cb 0.55 -0.17 -0.05 0.00 0.00 0.00 0.00 17.79 18.12 1b01 h ALA 21 CO -0.31 0.10 -0.35 -0.09 0.00 0.00 0.00 179.25 178.60 1b01 h ARG 22 N 0.72 -0.49 0.00 0.00 2.43 0.11 0.38 114.38 117.54 1b01 h ARG 22 Ca 0.26 0.03 -0.03 0.00 -0.81 0.00 0.00 59.98 59.43 1b01 h ARG 22 Cb 0.06 0.11 -0.00 0.00 -0.42 0.00 0.00 29.97 29.72 1b01 h ARG 22 CO -0.12 -0.32 -0.13 0.93 -1.51 0.00 0.00 179.97 178.81 1b01 h GLU 23 N -0.51 0.00 -0.08 0.20 5.08 -0.82 -0.55 114.58 117.90 1b01 h GLU 23 Ca 0.06 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.42 1b01 h GLU 23 Cb 0.59 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.84 1b01 h GLU 23 CO -0.28 0.13 0.00 -1.33 -1.00 0.00 0.00 179.01 176.53 1b01 n MET 24 N -3.60 1.95 -3.85 2.33 2.81 -0.69 -4.93 117.12 111.15 1b01 n MET 24 Ca -0.02 -1.40 -0.29 0.00 -1.81 0.00 0.00 57.70 54.19 1b01 n MET 24 Cb 0.26 -1.46 0.04 0.00 -0.71 0.00 0.00 33.22 31.34 1b01 n MET 24 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 1b01 n GLY 25 N 1.25 -0.50 3.65 3.03 0.00 0.10 -4.98 105.19 107.75 1b01 n GLY 25 Ca 0.17 0.20 -0.24 0.00 0.00 0.00 0.00 46.02 46.16 1b01 n GLY 25 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1b01 s LEU 26 N -7.26 3.09 0.53 0.99 1.43 0.42 -5.01 118.68 112.88 1b01 s LEU 26 Ca 0.62 -0.84 -0.05 0.00 -1.03 0.00 0.00 54.13 52.83 1b01 s LEU 26 Cb -0.30 -1.54 -0.01 0.00 0.03 0.00 0.00 46.19 44.37 1b01 s LEU 26 CO 0.81 -0.17 0.83 -0.94 0.23 0.00 0.00 176.35 177.11 1b01 s SER 27 N -3.73 5.88 0.18 2.29 1.04 -1.26 -4.39 113.70 113.71 1b01 s SER 27 Ca 0.34 0.76 -0.11 0.00 0.48 0.00 0.00 55.95 57.42 1b01 s SER 27 Cb -0.03 -1.90 0.10 0.00 0.10 0.00 0.00 66.02 64.29 1b01 s SER 27 CO 0.20 -0.84 1.77 0.11 0.98 0.00 0.00 173.24 175.47 1b01 h LYS 28 N 0.03 0.93 -0.82 4.02 1.79 -1.96 0.90 116.57 121.46 1b01 h LYS 28 Ca -0.46 -0.13 0.09 0.00 -2.18 0.00 0.00 60.65 57.97 1b01 h LYS 28 Cb 1.24 -0.17 -0.06 0.00 -1.58 0.00 0.00 32.23 31.66 1b01 h LYS 28 CO 0.61 0.74 0.54 0.77 -1.08 0.00 0.00 179.45 181.02 1b01 h SER 29 N 0.89 0.72 0.08 0.86 0.02 -1.98 0.91 113.55 115.04 1b01 h SER 29 Ca 0.22 0.02 -0.16 0.00 -0.84 0.00 0.00 61.79 61.03 1b01 h SER 29 Cb 0.11 -0.13 0.02 0.00 0.14 0.00 0.00 62.40 62.53 1b01 h SER 29 CO -0.03 0.43 -0.66 0.00 -1.14 0.00 0.00 176.83 175.43 1b01 h ALA 30 N 1.58 -0.02 -0.15 3.77 0.00 -1.50 -2.07 119.26 120.87 1b01 h ALA 30 Ca 0.38 -0.63 0.01 0.00 0.00 0.00 0.00 54.91 54.66 1b01 h ALA 30 Cb 0.40 0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.24 1b01 h ALA 30 CO -0.15 0.33 0.08 1.98 0.00 0.00 0.00 179.25 181.49 1b01 h MET 31 N -0.32 0.16 0.01 0.00 -1.53 0.15 0.35 114.93 113.76 1b01 h MET 31 Ca -0.10 -0.01 0.03 0.00 -3.44 0.00 0.00 59.70 56.17 1b01 h MET 31 Cb 1.45 -0.04 -0.04 0.00 -0.55 0.00 0.00 31.60 32.43 1b01 h MET 31 CO 0.13 0.11 -0.21 0.82 0.14 0.00 0.00 176.91 177.89 1b01 h ILE 32 N 0.17 0.51 -0.99 1.77 2.04 0.74 0.30 117.51 122.04 1b01 h ILE 32 Ca 0.06 0.00 0.17 0.00 1.00 0.00 0.00 64.86 66.09 1b01 h ILE 32 Cb 0.00 0.51 -0.10 0.00 -0.74 0.00 0.00 36.82 36.49 1b01 h ILE 32 CO -0.03 0.00 0.60 0.28 0.00 0.00 0.00 178.15 179.00 1b01 h SER 33 N -0.34 0.80 0.33 1.72 0.02 -0.83 0.50 113.55 115.76 1b01 h SER 33 Ca 0.06 0.09 -0.02 0.00 -0.84 0.00 0.00 61.79 61.08 1b01 h SER 33 Cb 0.41 -0.06 0.00 0.00 0.14 0.00 0.00 62.40 62.90 1b01 h SER 33 CO -0.19 0.32 -0.16 0.58 -1.14 0.00 0.00 176.83 176.25 1b01 h VAL 34 N 0.81 0.64 -0.85 2.27 2.07 0.59 -1.92 116.25 119.86 1b01 h VAL 34 Ca 0.55 -0.58 0.07 0.00 0.82 0.00 0.00 66.70 67.57 1b01 h VAL 34 Cb 0.78 0.92 -0.07 0.00 -1.52 0.00 0.00 31.29 31.40 1b01 h VAL 34 CO -0.35 0.11 0.51 0.00 0.02 0.00 0.00 177.57 177.85 1b01 h ALA 35 N -0.29 1.18 0.59 1.67 0.00 0.60 0.23 119.26 123.24 1b01 h ALA 35 Ca -0.05 0.01 -0.03 0.00 0.00 0.00 0.00 54.91 54.84 1b01 h ALA 35 Cb 0.52 -0.20 0.01 0.00 0.00 0.00 0.00 17.79 18.11 1b01 h ALA 35 CO 0.08 0.21 -0.28 -0.07 0.00 0.00 0.00 179.25 179.18 1b01 h LEU 36 N 0.91 -0.67 -0.08 0.00 3.38 -0.04 -0.01 115.31 118.79 1b01 h LEU 36 Ca 0.38 0.02 0.03 0.00 0.09 0.00 0.00 57.88 58.41 1b01 h LEU 36 Cb 0.24 0.17 -0.06 0.00 0.09 0.00 0.00 40.66 41.11 1b01 h LEU 36 CO -0.20 -0.48 -0.50 -0.33 0.09 0.00 0.00 178.44 177.02 1b01 h GLU 37 N -0.80 -0.57 0.00 1.13 4.39 -0.87 0.14 114.58 117.99 1b01 h GLU 37 Ca -0.08 0.04 0.00 0.00 0.34 0.00 0.00 59.36 59.66 1b01 h GLU 37 Cb 0.61 0.13 0.00 0.00 -0.10 0.00 0.00 28.75 29.39 1b01 h GLU 37 CO 0.13 -0.38 0.00 -1.71 -1.16 0.00 0.00 179.01 175.89 1b01 n ASN 38 N -5.45 0.00 -0.33 1.42 2.85 0.78 -1.14 115.26 113.38 1b01 n ASN 38 Ca -0.06 0.88 -0.02 0.00 -0.11 0.00 0.00 54.58 55.28 1b01 n ASN 38 Cb 0.38 -0.40 0.04 0.00 1.24 0.00 0.00 39.78 41.05 1b01 n ASN 38 CO 0.00 0.00 0.00 0.22 -2.11 0.00 0.00 177.26 175.37 1b01 h TYR 39 N 0.00 -0.99 -0.74 1.20 3.20 -0.65 0.41 116.97 119.40 1b01 h TYR 39 Ca 0.00 0.09 0.14 0.00 3.14 0.00 0.00 58.73 62.11 1b01 h TYR 39 Cb 0.00 0.56 -0.14 0.00 1.54 0.00 0.00 36.73 38.69 1b01 h TYR 39 CO -0.75 -0.40 -0.23 -0.22 -1.64 0.00 0.00 178.16 174.92 1b01 h LYS 40 N -0.04 -0.03 0.27 1.82 3.64 0.58 -1.90 116.57 120.90 1b01 h LYS 40 Ca 0.33 0.00 -0.01 0.00 -1.27 0.00 0.00 60.65 59.70 1b01 h LYS 40 Cb 0.59 0.01 -0.02 0.00 -0.41 0.00 0.00 32.23 32.40 1b01 h LYS 40 CO -0.90 -0.02 -0.33 0.87 -2.27 0.00 0.00 179.45 176.80 1b01 h LYS 41 N -0.03 -0.59 0.00 1.90 6.56 0.14 -2.05 116.57 122.49 1b01 h LYS 41 Ca 0.34 0.04 0.00 0.00 -1.06 0.00 0.00 60.65 59.97 1b01 h LYS 41 Cb 0.56 0.13 0.00 0.00 -0.57 0.00 0.00 32.23 32.35 1b01 h LYS 41 CO -0.78 -0.39 0.14 0.41 -2.06 0.00 0.00 179.45 176.77 1b01 n GLY 42 N -1.35 -0.26 0.40 3.86 0.00 -0.77 -5.12 105.19 101.95 1b01 n GLY 42 Ca -0.07 0.00 0.14 0.00 0.00 0.00 0.00 46.02 46.09 1b01 n GLY 42 CO 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 173.32 173.14