#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3im3 h LEU 13 N 0.00 0.84 -0.96 2.46 3.38 -2.05 -2.02 115.31 116.96 3im3 h LEU 13 Ca 0.00 -0.42 -0.04 0.00 0.09 0.00 0.00 57.88 57.50 3im3 h LEU 13 Cb 0.00 -0.23 -0.03 0.00 0.09 0.00 0.00 40.66 40.49 3im3 h LEU 13 CO 0.00 1.08 0.24 -0.09 0.09 0.00 0.00 178.44 179.76 3im3 h ARG 14 N 0.60 1.00 -0.10 1.13 2.43 -2.05 0.56 114.38 117.96 3im3 h ARG 14 Ca 0.08 -0.18 0.04 0.00 -0.81 0.00 0.00 59.98 59.10 3im3 h ARG 14 Cb 0.79 -0.16 -0.04 0.00 -0.42 0.00 0.00 29.97 30.13 3im3 h ARG 14 CO 0.06 0.83 -0.15 1.49 -1.51 0.00 0.00 179.97 180.70 3im3 h GLU 15 N 0.97 -0.19 -0.26 0.20 4.81 -1.97 -0.52 114.58 117.62 3im3 h GLU 15 Ca 0.22 0.01 -0.01 0.00 -0.13 0.00 0.00 59.36 59.46 3im3 h GLU 15 Cb 0.22 0.04 -0.01 0.00 0.63 0.00 0.00 28.75 29.64 3im3 h GLU 15 CO -0.02 -0.13 0.14 0.00 -0.73 0.00 0.00 179.01 178.28 3im3 h GLU 17 N 0.30 0.12 -0.69 0.00 4.81 -0.72 -0.60 114.58 117.80 3im3 h GLU 17 Ca 0.09 -0.01 -0.04 0.00 -0.13 0.00 0.00 59.36 59.28 3im3 h GLU 17 Cb 0.08 -0.03 -0.03 0.00 0.63 0.00 0.00 28.75 29.40 3im3 h GLU 17 CO -0.01 0.08 0.29 -0.07 -0.73 0.00 0.00 179.01 178.56 3im3 h LEU 18 N 0.12 0.94 -0.32 1.64 3.38 -0.90 -1.29 115.31 118.87 3im3 h LEU 18 Ca 0.21 -0.16 -0.03 0.00 0.09 0.00 0.00 57.88 57.99 3im3 h LEU 18 Cb 0.29 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 40.79 3im3 h LEU 18 CO -0.34 0.84 0.09 0.22 0.09 0.00 0.00 178.44 179.35 3im3 h TYR 19 N 0.97 0.53 -0.76 1.13 3.20 -0.75 0.20 116.97 121.50 3im3 h TYR 19 Ca 0.23 -0.06 -0.00 0.00 3.14 0.00 0.00 58.73 62.04 3im3 h TYR 19 Cb 0.18 -0.15 -0.04 0.00 1.54 0.00 0.00 36.73 38.27 3im3 h TYR 19 CO 0.01 0.55 0.47 0.28 -1.64 0.00 0.00 178.16 177.83 3im3 h VAL 20 N 0.37 1.21 -0.25 1.81 2.07 -1.00 -1.97 116.25 118.49 3im3 h VAL 20 Ca 0.10 -0.43 -0.03 0.00 0.82 0.00 0.00 66.70 67.16 3im3 h VAL 20 Cb 0.27 0.13 -0.01 0.00 -1.52 0.00 0.00 31.29 30.17 3im3 h VAL 20 CO -0.00 0.21 0.04 -0.61 0.02 0.00 0.00 177.57 177.23 3im3 h GLN 21 N 1.03 0.41 -0.97 1.57 4.15 -0.98 -1.37 115.11 118.97 3im3 h GLN 21 Ca 0.27 -0.11 0.07 0.00 0.77 0.00 0.00 58.65 59.65 3im3 h GLN 21 Cb -0.06 -0.05 -0.07 0.00 0.21 0.00 0.00 27.48 27.51 3im3 h GLN 21 CO -0.05 0.55 0.61 -0.22 -1.93 0.00 0.00 178.83 177.79 3im3 h LYS 22 N 0.22 1.06 -0.55 1.69 3.64 -0.22 -2.63 116.57 119.77 3im3 h LYS 22 Ca 0.07 -0.06 0.00 0.00 -1.27 0.00 0.00 60.65 59.39 3im3 h LYS 22 Cb 0.34 -0.24 0.00 0.00 -0.41 0.00 0.00 32.23 31.92 3im3 h LYS 22 CO 0.01 0.70 0.00 0.72 -2.27 0.00 0.00 179.45 178.61 3im3 n HIS 23 N -4.56 1.50 -2.27 1.91 8.25 -0.78 -4.94 115.22 114.34 3im3 n HIS 23 Ca 0.15 -0.68 -0.18 0.00 -0.26 0.00 0.00 57.72 56.75 3im3 n HIS 23 Cb 0.21 -0.31 -0.02 0.00 1.12 0.00 0.00 29.99 30.99 3im3 n HIS 23 CO 0.00 0.00 0.00 -1.71 0.64 0.00 0.00 176.34 175.27 3im3 n ASN 24 N 0.71 -5.28 -0.33 0.41 5.15 -0.87 -4.85 115.26 110.20 3im3 n ASN 24 Ca 0.25 0.11 -0.04 0.00 -0.60 0.00 0.00 54.58 54.30 3im3 n ASN 24 Cb 0.95 -4.46 0.09 0.00 -0.53 0.00 0.00 39.78 35.82 3im3 n ASN 24 CO 0.00 0.00 0.00 0.40 1.40 0.00 0.00 177.26 179.06 3im3 h ILE 25 N 0.00 1.25 0.18 -1.44 1.08 -1.55 -2.27 117.51 114.76 3im3 h ILE 25 Ca -0.43 -0.58 -0.01 0.00 -0.39 0.00 0.00 64.86 63.46 3im3 h ILE 25 Cb 1.31 0.03 0.00 0.00 -3.07 0.00 0.00 36.82 35.08 3im3 h ILE 25 CO 0.52 0.27 -0.09 -0.61 -0.69 0.00 0.00 178.15 177.56 3im3 h GLN 26 N 1.23 -0.23 -0.71 2.37 4.15 -1.89 -1.70 115.11 118.32 3im3 h GLN 26 Ca 0.32 0.02 -0.04 0.00 0.77 0.00 0.00 58.65 59.71 3im3 h GLN 26 Cb -0.02 0.05 -0.03 0.00 0.21 0.00 0.00 27.48 27.69 3im3 h GLN 26 CO -0.06 -0.14 0.27 0.00 -1.93 0.00 0.00 178.83 176.97 3im3 h ALA 27 N 0.56 1.14 -0.55 3.38 0.00 -1.91 -0.87 119.26 121.00 3im3 h ALA 27 Ca -0.02 -0.19 -0.11 0.00 0.00 0.00 0.00 54.91 54.58 3im3 h ALA 27 Cb 0.20 -0.28 -0.02 0.00 0.00 0.00 0.00 17.79 17.69 3im3 h ALA 27 CO 0.04 0.61 -0.09 -0.07 0.00 0.00 0.00 179.25 179.74 3im3 h LEU 28 N 1.03 1.04 -0.28 0.00 3.38 -1.24 -0.15 115.31 119.09 3im3 h LEU 28 Ca 0.24 -0.34 -0.17 0.00 0.09 0.00 0.00 57.88 57.69 3im3 h LEU 28 Cb 0.22 -0.28 -0.00 0.00 0.09 0.00 0.00 40.66 40.69 3im3 h LEU 28 CO -0.02 1.14 -0.48 -0.07 0.09 0.00 0.00 178.44 179.10 3im3 h LEU 29 N 0.92 0.90 -0.13 1.67 3.38 -1.22 -1.29 115.31 119.54 3im3 h LEU 29 Ca 0.14 -0.53 0.04 0.00 0.09 0.00 0.00 57.88 57.63 3im3 h LEU 29 Cb 0.66 -0.26 -0.05 0.00 0.09 0.00 0.00 40.66 41.11 3im3 h LEU 29 CO 0.05 1.26 -0.16 0.50 0.09 0.00 0.00 178.44 180.17 3im3 h LYS 30 N 0.58 -0.20 -0.65 1.13 1.63 -1.01 -1.06 116.57 117.00 3im3 h LYS 30 Ca 0.02 0.01 -0.03 0.00 -0.85 0.00 0.00 60.65 59.80 3im3 h LYS 30 Cb 1.09 0.04 -0.03 0.00 -0.60 0.00 0.00 32.23 32.73 3im3 h LYS 30 CO 0.11 -0.13 0.27 -0.44 -3.45 0.00 0.00 179.45 175.81 3im3 h ASP 31 N -0.20 0.86 -0.50 4.20 3.32 -0.95 -1.03 116.42 122.12 3im3 h ASP 31 Ca 0.10 -0.11 -0.11 0.00 0.02 0.00 0.00 57.03 56.92 3im3 h ASP 31 Cb 0.34 -0.22 -0.02 0.00 0.22 0.00 0.00 39.33 39.65 3im3 h ASP 31 CO -0.25 0.76 -0.11 0.77 -1.72 0.00 0.00 179.24 178.68 3im3 h SER 32 N 0.93 0.98 -0.55 6.45 4.64 -0.83 -1.20 113.55 123.97 3im3 h SER 32 Ca 0.22 -0.32 -0.06 0.00 -0.47 0.00 0.00 61.79 61.16 3im3 h SER 32 Cb 0.16 -0.27 -0.02 0.00 -0.31 0.00 0.00 62.40 61.96 3im3 h SER 32 CO -0.02 1.10 0.13 0.40 -0.87 0.00 0.00 176.83 177.57 3im3 h ILE 33 N 0.87 1.25 -0.83 0.95 2.04 -0.89 -1.38 117.51 119.51 3im3 h ILE 33 Ca 0.14 -0.89 -0.02 0.00 1.00 0.00 0.00 64.86 65.09 3im3 h ILE 33 Cb 0.67 0.77 -0.04 0.00 -0.74 0.00 0.00 36.82 37.47 3im3 h ILE 33 CO 0.05 0.33 0.43 0.58 0.00 0.00 0.00 178.15 179.53 3im3 h VAL 34 N 0.79 1.25 -0.50 1.67 2.07 -0.81 -1.64 116.25 119.07 3im3 h VAL 34 Ca 0.17 -0.66 -0.10 0.00 0.82 0.00 0.00 66.70 66.92 3im3 h VAL 34 Cb 0.35 0.16 -0.02 0.00 -1.52 0.00 0.00 31.29 30.26 3im3 h VAL 34 CO 0.00 0.29 -0.09 1.56 0.02 0.00 0.00 177.57 179.35 3im3 h GLN 35 N 1.17 0.95 -0.08 1.57 4.20 -1.11 -0.80 115.11 121.02 3im3 h GLN 35 Ca 0.29 -0.35 0.02 0.00 0.06 0.00 0.00 58.65 58.67 3im3 h GLN 35 Cb 0.07 -0.06 -0.02 0.00 0.30 0.00 0.00 27.48 27.77 3im3 h GLN 35 CO -0.04 1.02 -0.05 -0.07 -0.67 0.00 0.00 178.83 179.01 3im3 h LEU 36 N 0.81 -0.16 -0.85 1.46 3.38 -0.95 0.68 115.31 119.68 3im3 h LEU 36 Ca 0.13 0.04 -0.11 0.00 0.09 0.00 0.00 57.88 58.03 3im3 h LEU 36 Cb 0.65 0.09 -0.01 0.00 0.09 0.00 0.00 40.66 41.47 3im3 h LEU 36 CO 0.04 -0.07 -0.31 0.00 0.09 0.00 0.00 178.44 178.19 3im3 h THR 38 N 0.42 1.35 0.00 0.00 2.02 -0.90 -3.32 112.91 112.48 3im3 h THR 38 Ca 0.05 -1.17 -0.18 0.00 0.77 0.00 0.00 66.41 65.87 3im3 h THR 38 Cb 0.76 1.96 -0.03 0.00 -1.74 0.00 0.00 68.15 69.10 3im3 h THR 38 CO 0.06 0.33 -1.08 0.00 0.37 0.00 0.00 175.52 175.19 3im3 h ALA 39 N 0.59 0.59 -6.20 6.16 0.00 -0.90 -3.49 119.26 116.01 3im3 h ALA 39 Ca 0.01 -0.87 -0.35 0.00 0.00 0.00 0.00 54.91 53.71 3im3 h ALA 39 Cb 0.55 0.08 0.04 0.00 0.00 0.00 0.00 17.79 18.47 3im3 h ALA 39 CO 0.02 1.05 -0.77 0.54 0.00 0.00 0.00 179.25 180.10 3im3 n ARG 40 N -3.15 -1.30 -1.69 0.00 1.74 0.52 -4.90 116.66 107.88 3im3 n ARG 40 Ca -0.05 0.78 -0.43 0.00 -0.77 0.00 0.00 57.85 57.38 3im3 n ARG 40 Cb 0.88 -3.91 -0.01 0.00 -1.02 0.00 0.00 32.46 28.39 3im3 n ARG 40 CO 0.00 0.00 0.00 -2.30 -1.52 0.00 0.00 177.63 173.81 3im3 n PRO 41 N -3.19 2.14 0.24 5.56 -0.02 -1.26 -4.87 135.00 133.61 3im3 n PRO 41 Ca -0.14 0.75 0.10 0.00 -2.02 0.00 0.00 63.50 62.20 3im3 n PRO 41 Cb 0.60 -2.37 0.62 0.00 -0.02 0.00 0.00 33.50 32.33 3im3 n PRO 41 CO 0.00 0.00 0.00 0.93 1.98 0.00 0.00 175.50 178.41 3im3 h GLU 42 N 3.12 0.00 -2.87 -0.52 5.08 -1.99 -3.36 114.58 114.04 3im3 h GLU 42 Ca -0.46 0.00 -0.61 0.00 -1.00 0.00 0.00 59.36 57.29 3im3 h GLU 42 Cb 1.28 0.00 -0.40 0.00 0.50 0.00 0.00 28.75 30.12 3im3 h GLU 42 CO 0.67 0.17 -0.73 1.03 -1.00 0.00 0.00 179.01 179.16 3im3 s ARG 43 N -4.22 1.76 0.20 2.33 0.52 -1.26 -4.97 118.95 113.31 3im3 s ARG 43 Ca -0.03 -2.70 -0.07 0.00 -0.52 0.00 0.00 55.73 52.41 3im3 s ARG 43 Cb 0.13 -2.62 0.13 0.00 0.52 0.00 0.00 34.95 33.11 3im3 s ARG 43 CO 0.63 -1.29 1.65 -1.35 0.02 0.00 0.00 175.30 174.96 3im3 h PRO 44 N 5.77 0.98 -0.36 3.54 0.11 -1.98 -1.23 132.00 138.83 3im3 h PRO 44 Ca 0.14 -0.32 -0.06 0.00 0.11 0.00 0.00 66.00 65.87 3im3 h PRO 44 Cb 0.84 -0.08 -0.01 0.00 0.11 0.00 0.00 31.00 31.85 3im3 h PRO 44 CO 0.57 1.00 -0.02 0.52 -0.21 0.00 0.00 178.00 179.86 3im3 h MET 45 N 0.89 0.64 -0.62 1.05 2.86 -1.96 -0.64 114.93 117.14 3im3 h MET 45 Ca 0.15 -0.21 0.04 0.00 -2.06 0.00 0.00 59.70 57.61 3im3 h MET 45 Cb 0.59 -0.05 -0.04 0.00 0.06 0.00 0.00 31.60 32.16 3im3 h MET 45 CO 0.04 0.77 0.37 0.00 1.06 0.00 0.00 176.91 179.14 3im3 h ALA 46 N 0.85 0.82 -0.09 6.32 0.00 -1.96 -0.54 119.26 124.66 3im3 h ALA 46 Ca 0.10 -0.00 0.03 0.00 0.00 0.00 0.00 54.91 55.03 3im3 h ALA 46 Cb 0.49 -0.16 -0.03 0.00 0.00 0.00 0.00 17.79 18.09 3im3 h ALA 46 CO 0.02 0.08 -0.09 0.35 0.00 0.00 0.00 179.25 179.61 3im3 h PHE 47 N 0.71 -0.23 -0.81 0.00 3.57 -0.93 -0.69 116.94 118.57 3im3 h PHE 47 Ca 0.26 0.01 -0.03 0.00 3.53 0.00 0.00 57.97 61.74 3im3 h PHE 47 Cb 0.08 0.12 -0.04 0.00 2.79 0.00 0.00 35.95 38.90 3im3 h PHE 47 CO -0.06 -0.14 0.37 -0.07 -2.23 0.00 0.00 178.31 176.17 3im3 h LEU 48 N -0.12 1.07 -0.23 0.59 3.38 -0.88 0.12 115.31 119.25 3im3 h LEU 48 Ca 0.07 -0.15 0.01 0.00 0.09 0.00 0.00 57.88 57.90 3im3 h LEU 48 Cb 0.21 -0.28 -0.01 0.00 0.09 0.00 0.00 40.66 40.68 3im3 h LEU 48 CO -0.16 0.92 0.14 -0.09 0.09 0.00 0.00 178.44 179.33 3im3 h ARG 49 N 1.15 0.28 -0.27 1.13 1.12 -0.79 -2.14 114.38 114.86 3im3 h ARG 49 Ca 0.27 -0.02 -0.11 0.00 -1.11 0.00 0.00 59.98 59.02 3im3 h ARG 49 Cb 0.15 -0.06 -0.01 0.00 -0.01 0.00 0.00 29.97 30.03 3im3 h ARG 49 CO -0.03 0.18 -0.29 1.49 -3.11 0.00 0.00 179.97 178.21 3im3 h GLU 50 N 0.29 0.54 -0.01 0.20 4.57 -0.84 0.55 114.58 119.88 3im3 h GLU 50 Ca 0.09 -0.22 0.02 0.00 -1.18 0.00 0.00 59.36 58.06 3im3 h GLU 50 Cb -0.02 -0.02 -0.02 0.00 -0.16 0.00 0.00 28.75 28.53 3im3 h GLU 50 CO -0.03 0.78 -0.09 -0.92 -1.18 0.00 0.00 179.01 177.56 3im3 h TYR 51 N 0.47 -0.23 0.00 0.92 3.20 -0.53 -2.57 116.97 118.22 3im3 h TYR 51 Ca 0.06 0.01 -0.13 0.00 3.14 0.00 0.00 58.73 61.81 3im3 h TYR 51 Cb 0.74 0.11 -0.02 0.00 1.54 0.00 0.00 36.73 39.10 3im3 h TYR 51 CO 0.03 -0.14 -0.60 0.74 -1.64 0.00 0.00 178.16 176.55 3im3 h PHE 52 N -0.16 0.00 -0.89 -3.82 0.04 -1.26 -3.19 116.94 107.65 3im3 h PHE 52 Ca 0.04 0.00 0.02 0.00 2.80 0.00 0.00 57.97 60.83 3im3 h PHE 52 Cb 0.21 0.00 -0.05 0.00 2.20 0.00 0.00 35.95 38.31 3im3 h PHE 52 CO -0.16 0.60 0.59 1.49 -0.60 0.00 0.00 178.31 180.23 3im3 h GLU 53 N 0.00 1.12 -0.19 1.51 4.81 -0.57 0.52 114.58 121.79 3im3 h GLU 53 Ca -0.01 -0.07 -0.09 0.00 -0.13 0.00 0.00 59.36 59.07 3im3 h GLU 53 Cb 1.21 -0.25 -0.01 0.00 0.63 0.00 0.00 28.75 30.32 3im3 h GLU 53 CO 0.08 0.74 -0.28 0.87 -0.73 0.00 0.00 179.01 179.69 3im3 h LYS 54 N 1.16 0.36 -0.03 1.92 1.79 -1.46 -1.94 116.57 118.37 3im3 h LYS 54 Ca 0.34 -0.14 -0.20 0.00 -2.18 0.00 0.00 60.65 58.48 3im3 h LYS 54 Cb -0.05 -0.02 -0.00 0.00 -1.58 0.00 0.00 32.23 30.57 3im3 h LYS 54 CO -0.09 0.62 -0.82 -0.07 -1.08 0.00 0.00 179.45 178.00 3im3 h LEU 55 N 0.32 0.43 -1.32 2.94 3.38 -1.24 -3.07 115.31 116.75 3im3 h LEU 55 Ca 0.05 -0.32 -0.01 0.00 0.09 0.00 0.00 57.88 57.70 3im3 h LEU 55 Cb 0.66 -0.13 -0.03 0.00 0.09 0.00 0.00 40.66 41.25 3im3 h LEU 55 CO 0.05 1.08 0.35 -0.08 0.09 0.00 0.00 178.44 179.93 3im3 h GLU 56 N 0.22 0.81 -0.65 1.13 4.81 0.26 -1.88 114.58 119.28 3im3 h GLU 56 Ca -0.05 -0.07 -0.02 0.00 -0.13 0.00 0.00 59.36 59.09 3im3 h GLU 56 Cb 1.42 -0.17 -0.03 0.00 0.63 0.00 0.00 28.75 30.60 3im3 h GLU 56 CO 0.14 0.58 0.34 -0.22 -0.73 0.00 0.00 179.01 179.11 3im3 h LYS 57 N 0.83 0.92 -0.22 1.92 3.64 -1.26 -2.11 116.57 120.29 3im3 h LYS 57 Ca 0.22 -0.12 -0.13 0.00 -1.27 0.00 0.00 60.65 59.34 3im3 h LYS 57 Cb -0.02 -0.17 -0.01 0.00 -0.41 0.00 0.00 32.23 31.62 3im3 h LYS 57 CO -0.04 0.72 -0.42 0.93 -2.27 0.00 0.00 179.45 178.37 3im3 h GLU 58 N 0.90 0.54 -0.96 1.90 4.39 -1.44 -2.55 114.58 117.36 3im3 h GLU 58 Ca 0.23 -0.28 0.02 0.00 0.34 0.00 0.00 59.36 59.67 3im3 h GLU 58 Cb 0.08 0.01 -0.05 0.00 -0.10 0.00 0.00 28.75 28.69 3im3 h GLU 58 CO -0.03 0.86 0.63 1.49 -1.16 0.00 0.00 179.01 180.80 3im3 h GLU 59 N 0.44 1.23 -0.00 2.33 4.81 -0.95 -2.45 114.58 119.99 3im3 h GLU 59 Ca 0.04 -0.07 0.00 0.00 -0.13 0.00 0.00 59.36 59.19 3im3 h GLU 59 Cb 0.92 -0.28 0.00 0.00 0.63 0.00 0.00 28.75 30.02 3im3 h GLU 59 CO 0.08 0.82 -0.38 0.00 -0.73 0.00 0.00 179.01 178.80 3im3 n ALA 60 N -2.37 3.26 0.00 2.92 0.00 -0.83 -5.11 120.51 118.39 3im3 n ALA 60 Ca 0.12 -0.30 0.00 0.00 0.00 0.00 0.00 53.44 53.26 3im3 n ALA 60 Cb 0.04 -1.20 0.00 0.00 0.00 0.00 0.00 19.45 18.30 3im3 n ALA 60 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.50 178.67