#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 4.09 0.15 2.12 1.02 -1.26 -5.04 119.74 120.81 1b01 s LYS 2 Ca 0.00 2.31 0.06 0.00 0.02 0.00 0.00 55.97 58.36 1b01 s LYS 2 Cb 0.00 -2.89 -0.04 0.00 -0.52 0.00 0.00 37.83 34.38 1b01 s LYS 2 CO 0.00 -0.45 -0.13 0.15 -0.92 0.00 0.00 175.35 174.00 1b01 s LYS 3 N -2.09 1.09 0.10 1.68 1.02 -1.26 -5.16 119.74 115.12 1b01 s LYS 3 Ca 0.54 -1.37 0.01 0.00 0.02 0.00 0.00 55.97 55.17 1b01 s LYS 3 Cb -0.41 -0.85 -0.04 0.00 -0.52 0.00 0.00 37.83 36.00 1b01 s LYS 3 CO 0.55 0.14 0.24 1.03 -0.92 0.00 0.00 175.35 176.39 1b01 s ARG 4 N -3.20 3.42 -0.12 1.68 0.52 -1.26 -5.11 118.95 114.87 1b01 s ARG 4 Ca 0.14 -0.53 -0.05 0.00 -0.52 0.00 0.00 55.73 54.77 1b01 s ARG 4 Cb -0.02 -2.99 0.06 0.00 0.52 0.00 0.00 34.95 32.52 1b01 s ARG 4 CO 0.03 0.57 0.26 -1.17 0.02 0.00 0.00 175.30 175.01 1b01 s LEU 5 N -2.86 -0.11 -0.26 2.53 2.96 -1.26 -5.12 118.68 114.56 1b01 s LEU 5 Ca 0.35 0.58 -0.17 0.00 -0.22 0.00 0.00 54.13 54.66 1b01 s LEU 5 Cb -0.12 0.72 -0.03 0.00 0.50 0.00 0.00 46.19 47.26 1b01 s LEU 5 CO 0.28 -0.22 0.49 -0.89 -1.32 0.00 0.00 176.35 174.70 1b01 s THR 6 N 2.10 5.09 0.39 3.68 2.01 -1.26 -5.05 115.64 122.59 1b01 s THR 6 Ca -0.02 0.84 0.05 0.00 0.31 0.00 0.00 61.69 62.87 1b01 s THR 6 Cb -0.12 -3.81 -0.06 0.00 0.01 0.00 0.00 72.50 68.52 1b01 s THR 6 CO -0.09 0.10 0.03 0.27 -0.69 0.00 0.00 174.62 174.25 1b01 s ILE 7 N 2.25 1.55 -0.08 1.82 -4.36 -1.26 -5.14 121.20 115.98 1b01 s ILE 7 Ca 0.20 -2.00 0.03 0.00 -0.26 0.00 0.00 60.65 58.62 1b01 s ILE 7 Cb -0.16 -2.81 0.01 0.00 1.25 0.00 0.00 42.46 40.75 1b01 s ILE 7 CO 0.09 0.00 -0.16 0.42 0.24 0.00 0.00 174.94 175.53 1b01 s THR 8 N -2.97 1.44 0.05 8.37 -4.23 -1.26 -5.13 115.64 111.91 1b01 s THR 8 Ca 0.32 -0.65 0.05 0.00 -1.18 0.00 0.00 61.69 60.23 1b01 s THR 8 Cb 0.08 -1.28 -0.02 0.00 1.34 0.00 0.00 72.50 72.62 1b01 s THR 8 CO 0.16 0.42 -0.15 -0.76 -0.54 0.00 0.00 174.62 173.75 1b01 s LEU 9 N 0.57 2.20 0.02 4.79 1.43 -1.26 -5.11 118.68 121.33 1b01 s LEU 9 Ca -0.16 -0.51 -0.30 0.00 -1.03 0.00 0.00 54.13 52.12 1b01 s LEU 9 Cb -0.16 -0.63 -0.06 0.00 0.03 0.00 0.00 46.19 45.36 1b01 s LEU 9 CO 0.05 0.02 1.44 -0.44 0.23 0.00 0.00 176.35 177.66 1b01 s SER 10 N -1.33 6.81 0.16 2.29 0.01 -1.26 -4.77 113.70 115.61 1b01 s SER 10 Ca 0.02 2.20 -0.07 0.00 1.31 0.00 0.00 55.95 59.40 1b01 s SER 10 Cb -0.09 -2.56 0.24 0.00 0.21 0.00 0.00 66.02 63.82 1b01 s SER 10 CO 0.02 -0.74 0.95 1.21 0.41 0.00 0.00 173.24 175.08 1b01 n GLU 11 N 5.27 -0.08 -0.17 12.44 2.13 -1.26 0.18 120.64 139.15 1b01 n GLU 11 Ca 0.13 0.94 -0.03 0.00 0.66 0.00 0.00 57.16 58.86 1b01 n GLU 11 Cb 0.43 -1.41 0.17 0.00 0.27 0.00 0.00 31.44 30.90 1b01 n GLU 11 CO 0.00 0.00 0.00 0.66 -0.41 0.00 0.00 177.13 177.38 1b01 h SER 12 N 0.00 0.85 0.69 4.31 4.64 -1.98 0.47 113.55 122.53 1b01 h SER 12 Ca 0.27 -0.14 -0.17 0.00 -0.47 0.00 0.00 61.79 61.28 1b01 h SER 12 Cb 0.42 -0.22 -0.02 0.00 -0.31 0.00 0.00 62.40 62.27 1b01 h SER 12 CO -0.62 0.80 -0.79 0.58 -0.87 0.00 0.00 176.83 175.93 1b01 h VAL 13 N 0.89 1.53 -0.09 0.95 2.07 0.15 -2.22 116.25 119.52 1b01 h VAL 13 Ca 0.20 -2.60 -0.07 0.00 0.82 0.00 0.00 66.70 65.05 1b01 h VAL 13 Cb 0.25 2.41 0.00 0.00 -1.52 0.00 0.00 31.29 32.44 1b01 h VAL 13 CO -0.01 0.75 -0.23 0.25 0.02 0.00 0.00 177.57 178.35 1b01 h LEU 14 N 0.04 0.37 -0.78 2.57 5.85 0.32 -0.32 115.31 123.36 1b01 h LEU 14 Ca -0.02 -0.58 0.10 0.00 0.84 0.00 0.00 57.88 58.22 1b01 h LEU 14 Cb 1.39 -0.11 -0.07 0.00 0.37 0.00 0.00 40.66 42.24 1b01 h LEU 14 CO 0.11 0.88 0.42 -0.33 -0.34 0.00 0.00 178.44 179.18 1b01 h GLU 15 N -0.13 0.67 0.00 1.25 5.08 -0.08 0.47 114.58 121.84 1b01 h GLU 15 Ca -0.00 -0.04 0.00 0.00 -1.00 0.00 0.00 59.36 58.32 1b01 h GLU 15 Cb 0.84 -0.15 0.00 0.00 0.50 0.00 0.00 28.75 29.93 1b01 h GLU 15 CO 0.05 0.44 0.00 -0.97 -1.00 0.00 0.00 179.01 177.53 1b01 h ASN 16 N 0.69 0.00 -0.18 1.42 -1.24 -1.30 -2.24 115.58 112.73 1b01 h ASN 16 Ca 0.38 0.00 -0.10 0.00 0.71 0.00 0.00 56.30 57.29 1b01 h ASN 16 Cb 0.40 0.00 -0.00 0.00 0.73 0.00 0.00 38.32 39.45 1b01 h ASN 16 CO -0.27 0.00 -0.29 0.25 -1.29 0.00 0.00 177.43 175.83 1b01 h LEU 17 N 0.00 0.57 0.50 0.34 5.85 0.17 -2.43 115.31 120.30 1b01 h LEU 17 Ca 0.00 -0.53 -0.02 0.00 0.84 0.00 0.00 57.88 58.17 1b01 h LEU 17 Cb 0.70 -0.16 0.00 0.00 0.37 0.00 0.00 40.66 41.57 1b01 h LEU 17 CO 0.00 0.99 -0.24 -0.08 -0.34 0.00 0.00 178.44 178.77 1b01 h GLU 18 N 0.16 -0.65 -0.27 1.25 4.57 -0.78 -1.24 114.58 117.63 1b01 h GLU 18 Ca 0.01 0.04 0.04 0.00 -1.18 0.00 0.00 59.36 58.27 1b01 h GLU 18 Cb 0.87 0.15 -0.06 0.00 -0.16 0.00 0.00 28.75 29.55 1b01 h GLU 18 CO 0.07 -0.43 -0.46 -0.22 -1.18 0.00 0.00 179.01 176.79 1b01 h LYS 19 N -0.68 -0.36 -0.96 1.92 3.64 -1.43 0.26 116.57 118.97 1b01 h LYS 19 Ca -0.07 0.02 0.13 0.00 -1.27 0.00 0.00 60.65 59.46 1b01 h LYS 19 Cb 0.52 0.08 -0.08 0.00 -0.41 0.00 0.00 32.23 32.34 1b01 h LYS 19 CO 0.11 -0.24 0.61 0.52 -2.27 0.00 0.00 179.45 178.18 1b01 h MET 20 N -0.37 0.86 -0.07 1.90 2.86 -1.43 -2.49 114.93 116.19 1b01 h MET 20 Ca 0.05 -0.05 -0.01 0.00 -2.06 0.00 0.00 59.70 57.63 1b01 h MET 20 Cb 0.51 -0.19 -0.00 0.00 0.06 0.00 0.00 31.60 31.97 1b01 h MET 20 CO -0.45 0.57 0.00 0.00 1.06 0.00 0.00 176.91 178.09 1b01 h ALA 21 N 1.56 0.09 0.06 6.32 0.00 -0.12 -2.23 119.26 124.95 1b01 h ALA 21 Ca 0.47 -0.16 0.00 0.00 0.00 0.00 0.00 54.91 55.23 1b01 h ALA 21 Cb 0.56 -0.03 -0.02 0.00 0.00 0.00 0.00 17.79 18.31 1b01 h ALA 21 CO -0.24 -0.25 -0.22 -0.09 0.00 0.00 0.00 179.25 178.45 1b01 h ARG 22 N -0.15 -0.31 0.00 0.00 2.43 -0.70 -0.43 114.38 115.22 1b01 h ARG 22 Ca 0.02 0.02 0.00 0.00 -0.81 0.00 0.00 59.98 59.21 1b01 h ARG 22 Cb 0.31 0.07 0.00 0.00 -0.42 0.00 0.00 29.97 29.94 1b01 h ARG 22 CO 0.00 -0.21 0.24 0.39 -1.51 0.00 0.00 179.97 178.89 1b01 n GLU 23 N -3.72 0.06 -0.05 0.20 1.02 -0.96 0.11 120.64 117.29 1b01 n GLU 23 Ca -0.04 0.48 0.05 0.00 -0.02 0.00 0.00 57.16 57.63 1b01 n GLU 23 Cb 0.18 -1.94 0.07 0.00 -0.02 0.00 0.00 31.44 29.73 1b01 n GLU 23 CO 0.00 0.00 0.00 -1.33 1.18 0.00 0.00 177.13 176.98 1b01 n MET 24 N -1.80 1.24 -3.81 3.49 2.81 -0.72 -4.98 117.12 113.35 1b01 n MET 24 Ca -0.01 -1.40 -0.27 0.00 -1.81 0.00 0.00 57.70 54.21 1b01 n MET 24 Cb 0.26 -1.20 0.04 0.00 -0.71 0.00 0.00 33.22 31.60 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 0.49 -0.48 3.33 3.03 0.00 0.30 -4.99 105.19 106.87 1b01 n GLY 25 Ca 0.07 0.20 -0.17 0.00 0.00 0.00 0.00 46.02 46.12 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 -7.19 2.26 0.62 0.99 1.43 -0.45 -5.04 118.68 111.30 1b01 s LEU 26 Ca 0.54 -1.19 -0.08 0.00 -1.03 0.00 0.00 54.13 52.38 1b01 s LEU 26 Cb -0.26 -0.32 0.00 0.00 0.03 0.00 0.00 46.19 45.64 1b01 s LEU 26 CO 0.80 -0.47 0.96 -0.94 0.23 0.00 0.00 176.35 176.93 1b01 s SER 27 N -3.30 5.66 0.13 2.29 1.04 -1.26 -4.32 113.70 113.94 1b01 s SER 27 Ca 0.27 0.91 -0.20 0.00 0.48 0.00 0.00 55.95 57.40 1b01 s SER 27 Cb 0.05 -1.88 -0.04 0.00 0.10 0.00 0.00 66.02 64.25 1b01 s SER 27 CO 0.08 -1.08 1.70 0.11 0.98 0.00 0.00 173.24 175.03 1b01 h LYS 28 N -0.29 -0.01 -0.82 4.02 1.57 -1.95 0.42 116.57 119.51 1b01 h LYS 28 Ca -0.45 0.00 0.17 0.00 -1.87 0.00 0.00 60.65 58.50 1b01 h LYS 28 Cb 1.25 0.00 -0.11 0.00 0.08 0.00 0.00 32.23 33.45 1b01 h LYS 28 CO 0.62 -0.01 0.35 0.77 -0.57 0.00 0.00 179.45 180.60 1b01 h SER 29 N -0.01 0.32 -0.02 0.86 0.02 -1.99 0.20 113.55 112.93 1b01 h SER 29 Ca 0.09 0.12 -0.00 0.00 -0.84 0.00 0.00 61.79 61.16 1b01 h SER 29 Cb 0.15 0.10 -0.00 0.00 0.14 0.00 0.00 62.40 62.79 1b01 h SER 29 CO -0.19 0.08 0.00 0.00 -1.14 0.00 0.00 176.83 175.58 1b01 h ALA 30 N 1.61 0.02 0.58 3.77 0.00 -1.47 -0.73 119.26 123.05 1b01 h ALA 30 Ca 0.47 -0.15 -0.02 0.00 0.00 0.00 0.00 54.91 55.21 1b01 h ALA 30 Cb 0.79 -0.01 -0.02 0.00 0.00 0.00 0.00 17.79 18.55 1b01 h ALA 30 CO -0.45 -0.32 -0.49 1.98 0.00 0.00 0.00 179.25 179.97 1b01 h MET 31 N -0.26 -1.01 -0.88 0.00 -1.53 0.64 -0.83 114.93 111.05 1b01 h MET 31 Ca 0.00 0.07 0.22 0.00 -3.44 0.00 0.00 59.70 56.56 1b01 h MET 31 Cb 0.31 0.23 -0.13 0.00 -0.55 0.00 0.00 31.60 31.46 1b01 h MET 31 CO 0.00 -0.67 0.34 0.82 0.14 0.00 0.00 176.91 177.54 1b01 h ILE 32 N -1.05 0.43 -0.12 1.77 2.04 -0.65 0.56 117.51 120.48 1b01 h ILE 32 Ca -0.08 -0.11 -0.05 0.00 1.00 0.00 0.00 64.86 65.62 1b01 h ILE 32 Cb 0.88 0.06 -0.01 0.00 -0.74 0.00 0.00 36.82 37.02 1b01 h ILE 32 CO -0.01 0.06 -0.13 -1.28 0.00 0.00 0.00 178.15 176.79 1b01 h SER 33 N 0.34 0.18 0.46 1.72 0.87 -0.56 -0.44 113.55 116.12 1b01 h SER 33 Ca 0.55 -0.03 -0.02 0.00 -1.23 0.00 0.00 61.79 61.06 1b01 h SER 33 Cb 1.07 -0.05 0.00 0.00 -0.44 0.00 0.00 62.40 62.99 1b01 h SER 33 CO -0.56 0.34 -0.22 0.58 -0.53 0.00 0.00 176.83 176.43 1b01 h VAL 34 N 0.19 0.00 -0.74 2.23 2.07 0.15 -2.25 116.25 117.90 1b01 h VAL 34 Ca 0.04 -0.53 0.16 0.00 0.82 0.00 0.00 66.70 67.19 1b01 h VAL 34 Cb 0.35 0.00 -0.12 0.00 -1.52 0.00 0.00 31.29 30.00 1b01 h VAL 34 CO 0.02 0.00 0.13 0.00 0.02 0.00 0.00 177.57 177.74 1b01 h ALA 35 N -1.18 0.90 -0.22 1.67 0.00 -1.20 0.45 119.26 119.67 1b01 h ALA 35 Ca -0.06 0.19 0.01 0.00 0.00 0.00 0.00 54.91 55.05 1b01 h ALA 35 Cb 0.48 0.29 -0.02 0.00 0.00 0.00 0.00 17.79 18.54 1b01 h ALA 35 CO 0.10 -0.37 0.12 -0.07 0.00 0.00 0.00 179.25 179.03 1b01 h LEU 36 N 0.21 0.18 -1.26 0.00 3.38 -1.12 0.83 115.31 117.54 1b01 h LEU 36 Ca 0.41 0.01 -0.06 0.00 0.09 0.00 0.00 57.88 58.33 1b01 h LEU 36 Cb 0.72 -0.03 -0.01 0.00 0.09 0.00 0.00 40.66 41.43 1b01 h LEU 36 CO -0.56 0.14 -0.29 -0.33 0.09 0.00 0.00 178.44 177.49 1b01 h GLU 37 N 0.25 0.00 0.42 1.13 4.39 -0.49 -2.92 114.58 117.36 1b01 h GLU 37 Ca 0.09 0.00 -0.02 0.00 0.34 0.00 0.00 59.36 59.77 1b01 h GLU 37 Cb 0.01 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.66 1b01 h GLU 37 CO -0.05 0.29 -0.20 -0.97 -1.16 0.00 0.00 179.01 176.92 1b01 h ASN 38 N 0.00 -0.48 -0.64 1.42 -0.73 0.78 -2.96 115.58 112.98 1b01 h ASN 38 Ca -0.00 -0.11 0.13 0.00 1.87 0.00 0.00 56.30 58.19 1b01 h ASN 38 Cb 0.70 0.12 -0.11 0.00 0.27 0.00 0.00 38.32 39.30 1b01 h ASN 38 CO 0.04 -0.08 -0.03 0.22 -0.37 0.00 0.00 177.43 177.21 1b01 h TYR 39 N -0.97 -0.10 -0.84 0.67 5.03 -0.84 0.58 116.97 120.49 1b01 h TYR 39 Ca -0.06 0.05 0.20 0.00 2.58 0.00 0.00 58.73 61.50 1b01 h TYR 39 Cb 0.56 0.15 -0.06 0.00 1.55 0.00 0.00 36.73 38.93 1b01 h TYR 39 CO 0.02 -0.20 0.57 -0.22 -1.32 0.00 0.00 178.16 177.01 1b01 h LYS 40 N 0.09 0.31 0.31 1.82 3.64 -1.54 -1.84 116.57 119.35 1b01 h LYS 40 Ca 0.33 -0.02 -0.02 0.00 -1.27 0.00 0.00 60.65 59.68 1b01 h LYS 40 Cb 0.54 -0.07 0.00 0.00 -0.41 0.00 0.00 32.23 32.29 1b01 h LYS 40 CO -0.57 0.21 -0.15 -0.22 -2.27 0.00 0.00 179.45 176.45 1b01 h LYS 41 N 0.32 -0.40 0.00 1.90 1.63 0.24 -3.08 116.57 117.19 1b01 h LYS 41 Ca 0.43 0.03 0.00 0.00 -0.85 0.00 0.00 60.65 60.25 1b01 h LYS 41 Cb 1.16 0.09 0.00 0.00 -0.60 0.00 0.00 32.23 32.88 1b01 h LYS 41 CO -0.13 -0.26 0.48 0.41 -3.45 0.00 0.00 179.45 176.50 1b01 n GLY 42 N 0.69 -0.34 1.21 5.01 0.00 -0.17 -5.12 105.19 106.48 1b01 n GLY 42 Ca -0.05 0.04 0.00 0.00 0.00 0.00 0.00 46.02 46.01 1b01 n GLY 42 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26