#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1na1 s ASN 30 N 0.00 6.11 0.30 4.38 0.02 -1.26 -4.98 114.94 119.52 1na1 s ASN 30 Ca 0.00 -0.26 0.15 0.00 -1.02 0.00 0.00 52.86 51.73 1na1 s ASN 30 Cb 0.00 -2.16 0.35 0.00 0.02 0.00 0.00 41.25 39.45 1na1 s ASN 30 CO 0.00 -0.25 1.58 1.88 0.02 0.00 0.00 177.10 180.32 1na1 h TYR 31 N 8.45 0.00 -2.35 2.20 0.05 -1.99 -3.46 116.97 119.86 1na1 h TYR 31 Ca -0.31 0.00 -0.52 0.00 0.05 0.00 0.00 58.73 57.95 1na1 h TYR 31 Cb 1.16 0.00 -0.05 0.00 1.01 0.00 0.00 36.73 38.84 1na1 h TYR 31 CO 0.69 0.54 -0.53 0.71 -1.05 0.00 0.00 178.16 178.51 1na1 s TYR 32 N -3.31 3.14 0.11 4.88 2.02 -1.26 -5.06 117.35 117.87 1na1 s TYR 32 Ca 0.01 -0.08 -0.13 0.00 -0.37 0.00 0.00 57.07 56.50 1na1 s TYR 32 Cb 0.10 -1.44 -0.11 0.00 -0.40 0.00 0.00 41.96 40.11 1na1 s TYR 32 CO 0.73 0.52 1.37 -0.22 -1.57 0.00 0.00 175.55 176.38 1na1 h LYS 33 N 1.76 0.79 -6.93 -0.62 3.64 -2.00 -3.47 116.57 109.75 1na1 h LYS 33 Ca -0.48 -0.53 -0.48 0.00 -1.27 0.00 0.00 60.65 57.89 1na1 h LYS 33 Cb 1.23 0.07 -0.01 0.00 -0.41 0.00 0.00 32.23 33.11 1na1 h LYS 33 CO 0.62 1.16 0.21 -0.51 -2.27 0.00 0.00 179.45 178.65 1na1 s ASP 34 N -6.88 6.70 0.19 4.20 1.11 -1.26 -4.99 116.67 115.74 1na1 s ASP 34 Ca -0.11 1.38 -0.07 0.00 0.18 0.00 0.00 52.55 53.92 1na1 s ASP 34 Cb 0.09 -2.42 0.11 0.00 1.07 0.00 0.00 42.92 41.77 1na1 s ASP 34 CO 0.88 -0.38 1.62 0.00 1.18 0.00 0.00 175.17 178.47 1na1 h ALA 35 N 1.60 0.83 -0.70 5.23 0.00 -2.00 -3.05 119.26 121.17 1na1 h ALA 35 Ca -0.48 -0.35 0.16 0.00 0.00 0.00 0.00 54.91 54.25 1na1 h ALA 35 Cb 1.18 -0.19 -0.04 0.00 0.00 0.00 0.00 17.79 18.75 1na1 h ALA 35 CO 0.63 0.65 0.48 0.00 0.00 0.00 0.00 179.25 181.02 1na1 h ALA 36 N 1.00 2.31 0.00 0.00 0.00 -1.99 -1.70 119.26 118.88 1na1 h ALA 36 Ca 0.13 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.03 1na1 h ALA 36 Cb 0.67 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.45 1na1 h ALA 36 CO 0.05 -0.51 0.00 -1.13 0.00 0.00 0.00 179.25 177.66 1na1 n SER 37 N -4.43 0.00 -4.86 0.00 3.41 -1.15 -4.84 113.62 101.75 1na1 n SER 37 Ca 0.13 -0.52 -0.31 0.00 -0.26 0.00 0.00 58.87 57.92 1na1 n SER 37 Cb 0.60 -0.14 0.02 0.00 -0.26 0.00 0.00 64.21 64.44 1na1 n SER 37 CO 0.00 0.00 0.00 0.42 -0.16 0.00 0.00 175.04 175.30 1na1 s THR 38 N -2.27 4.40 0.91 6.66 -4.23 -0.64 -4.96 115.64 115.50 1na1 s THR 38 Ca 0.35 0.78 -0.15 0.00 -1.18 0.00 0.00 61.69 61.48 1na1 s THR 38 Cb 0.19 -3.72 0.21 0.00 1.34 0.00 0.00 72.50 70.53 1na1 s THR 38 CO 0.37 -1.02 1.16 -1.54 -0.54 0.00 0.00 174.62 173.05 1na1 n SER 39 N -2.87 -0.20 -4.53 3.99 3.41 -1.26 -4.98 113.62 107.19 1na1 n SER 39 Ca 0.06 -1.38 -0.48 0.00 -0.26 0.00 0.00 58.87 56.81 1na1 n SER 39 Cb 0.54 -0.91 -0.03 0.00 -0.26 0.00 0.00 64.21 63.55 1na1 n SER 39 CO 0.00 0.00 0.00 -1.20 -0.16 0.00 0.00 175.04 173.68 1na1 n SER 40 N -3.89 0.49 0.22 4.04 7.64 -1.26 -4.90 113.62 115.95 1na1 n SER 40 Ca 0.15 1.15 0.12 0.00 1.01 0.00 0.00 58.87 61.30 1na1 n SER 40 Cb 0.52 -1.15 0.71 0.00 -1.01 0.00 0.00 64.21 63.28 1na1 n SER 40 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1na1 h ALA 41 N 2.17 1.99 0.00 -0.43 0.00 -2.04 -3.49 119.26 117.47 1na1 h ALA 41 Ca -0.38 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.53 1na1 h ALA 41 Cb 1.38 0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.17 1na1 h ALA 41 CO 0.63 -0.14 0.00 0.41 0.00 0.00 0.00 179.25 180.14 1na1 n GLY 42 N -1.51 -2.08 2.03 0.00 0.00 -1.26 -4.93 105.19 97.43 1na1 n GLY 42 Ca -0.00 -1.21 -0.37 0.00 0.00 0.00 0.00 46.02 44.44 1na1 n GLY 42 CO 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 173.32 173.14 1na1 n GLN 43 N -0.31 0.00 -0.35 1.61 7.27 -1.26 -4.85 117.38 119.48 1na1 n GLN 43 Ca 0.00 0.00 0.13 0.00 0.07 0.00 0.00 57.00 57.20 1na1 n GLN 43 Cb 0.00 -0.82 0.32 0.00 2.41 0.00 0.00 30.24 32.15 1na1 n GLN 43 CO 0.00 0.00 0.00 1.03 0.07 0.00 0.00 177.06 178.16 1na1 h SER 44 N 3.01 0.79 -6.28 1.69 0.87 -2.05 -3.46 113.55 108.12 1na1 h SER 44 Ca -0.22 0.10 -0.47 0.00 -1.23 0.00 0.00 61.79 59.97 1na1 h SER 44 Cb 0.76 -0.04 -0.02 0.00 -0.44 0.00 0.00 62.40 62.65 1na1 h SER 44 CO 0.55 0.28 -0.79 -0.11 -0.53 0.00 0.00 176.83 176.22 1na1 n LEU 45 N -4.76 -2.65 0.00 2.23 7.94 -1.26 -4.89 117.00 113.61 1na1 n LEU 45 Ca 0.23 -0.81 0.00 0.00 -1.11 0.00 0.00 56.01 54.32 1na1 n LEU 45 Cb 0.57 -2.55 0.00 0.00 0.53 0.00 0.00 43.42 41.98 1na1 n LEU 45 CO 0.21 0.44 0.00 -1.20 -1.11 0.00 0.00 177.39 175.74 1na1 n SER 46 N -2.90 0.00 -2.83 1.96 7.64 -1.26 -5.10 113.62 111.13 1na1 n SER 46 Ca -0.07 0.00 -0.07 0.00 1.01 0.00 0.00 58.87 59.74 1na1 n SER 46 Cb 0.58 -0.19 0.01 0.00 -1.01 0.00 0.00 64.21 63.60 1na1 n SER 46 CO 0.00 0.00 0.00 0.23 -3.01 0.00 0.00 175.04 172.26 1na1 n MET 47 N -2.07 -2.57 -3.79 1.43 2.81 -1.26 -5.04 117.12 106.63 1na1 n MET 47 Ca 0.00 2.24 -0.30 0.00 -1.81 0.00 0.00 57.70 57.83 1na1 n MET 47 Cb 0.00 -5.64 -0.14 0.00 -0.71 0.00 0.00 33.22 26.73 1na1 n MET 47 CO 0.00 0.00 0.00 0.34 1.51 0.00 0.00 175.97 177.82 1na1 s ASP 48 N -2.46 3.96 0.33 7.83 3.68 -1.26 -4.98 116.67 123.78 1na1 s ASP 48 Ca 0.21 -2.43 0.26 0.00 2.13 0.00 0.00 52.55 52.72 1na1 s ASP 48 Cb -0.06 -1.16 1.02 0.00 -1.45 0.00 0.00 42.92 41.27 1na1 s ASP 48 CO 0.77 -0.30 1.78 1.55 0.13 0.00 0.00 175.17 179.10 1na1 h PRO 49 N 7.07 0.00 -0.38 4.34 0.13 -2.02 -3.31 132.00 137.82 1na1 h PRO 49 Ca -0.05 0.00 0.11 0.00 -0.87 0.00 0.00 66.00 65.19 1na1 h PRO 49 Cb 0.95 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.06 1na1 h PRO 49 CO 0.52 0.00 0.30 0.66 -0.23 0.00 0.00 178.00 179.24 1na1 h SER 50 N 0.00 0.00 0.36 1.44 4.64 -1.95 0.49 113.55 118.52 1na1 h SER 50 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1na1 h SER 50 Cb 0.49 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.58 1na1 h SER 50 CO 0.00 0.00 0.00 2.29 -0.87 0.00 0.00 176.83 178.25 1na1 n LYS 51 N -4.25 0.13 -0.01 4.77 2.85 -1.25 -0.56 118.16 119.85 1na1 n LYS 51 Ca 0.06 0.19 -0.01 0.00 -1.05 0.00 0.00 58.31 57.50 1na1 n LYS 51 Cb 0.48 -1.50 -0.01 0.00 -0.65 0.00 0.00 35.03 33.35 1na1 n LYS 51 CO 0.00 0.00 0.00 1.19 -0.05 0.00 0.00 177.40 178.54 1na1 n PHE 52 N -1.36 0.00 0.06 5.58 3.01 -0.08 -4.53 117.46 120.13 1na1 n PHE 52 Ca 0.06 0.00 -0.15 0.00 1.01 0.00 0.00 57.45 58.36 1na1 n PHE 52 Cb 0.14 -0.05 -0.14 0.00 -0.01 0.00 0.00 39.48 39.42 1na1 n PHE 52 CO 0.00 0.00 0.00 1.79 1.01 0.00 0.00 176.76 179.56 1na1 h THR 53 N 0.00 1.20 -1.78 4.37 1.35 -0.90 -3.40 112.91 113.75 1na1 h THR 53 Ca -0.03 -2.85 -0.52 0.00 -0.55 0.00 0.00 66.41 62.46 1na1 h THR 53 Cb 1.05 2.76 -0.41 0.00 -1.73 0.00 0.00 68.15 69.81 1na1 h THR 53 CO -0.00 0.81 -0.89 -0.62 -0.25 0.00 0.00 175.52 174.57 1na1 n GLU 54 N -3.42 2.39 -0.76 4.72 1.02 0.28 -4.91 120.64 119.96 1na1 n GLU 54 Ca -0.15 -4.14 -0.07 0.00 -0.02 0.00 0.00 57.16 52.79 1na1 n GLU 54 Cb 1.03 -1.94 -0.07 0.00 -0.02 0.00 0.00 31.44 30.45 1na1 n GLU 54 CO 0.00 0.00 0.00 -0.35 1.18 0.00 0.00 177.13 177.96 1na1 n PRO 55 N -0.16 1.49 -3.35 3.49 -0.04 -1.23 -4.84 135.00 130.37 1na1 n PRO 55 Ca 0.28 -0.56 -0.25 0.00 -0.04 0.00 0.00 63.50 62.93 1na1 n PRO 55 Cb 0.60 -1.48 -0.02 0.00 -0.04 0.00 0.00 33.50 32.57 1na1 n PRO 55 CO 0.00 0.00 0.00 0.14 -0.04 0.00 0.00 175.50 175.60 1na1 s VAL 56 N 0.24 5.09 -0.11 0.52 -7.23 -1.26 -5.04 120.40 112.61 1na1 s VAL 56 Ca 0.31 -0.31 -0.28 0.00 -1.81 0.00 0.00 61.98 59.89 1na1 s VAL 56 Cb 0.16 -3.83 -0.25 0.00 0.56 0.00 0.00 36.38 33.02 1na1 s VAL 56 CO -0.01 -0.50 0.88 0.50 -0.31 0.00 0.00 175.10 175.66 1na1 h LYS 57 N 1.01 0.01 -4.65 4.82 3.64 -2.06 -3.42 116.57 115.92 1na1 h LYS 57 Ca -0.49 -0.01 -0.70 0.00 -1.27 0.00 0.00 60.65 58.18 1na1 h LYS 57 Cb 1.21 0.00 -0.20 0.00 -0.41 0.00 0.00 32.23 32.84 1na1 h LYS 57 CO 0.63 0.90 -0.42 -0.51 -2.27 0.00 0.00 179.45 177.78 1na1 s ASP 58 N -6.13 6.10 0.04 4.20 1.01 -1.26 -5.03 116.67 115.61 1na1 s ASP 58 Ca -0.18 -0.64 -0.37 0.00 0.71 0.00 0.00 52.55 52.07 1na1 s ASP 58 Cb -0.02 -2.16 -0.19 0.00 1.01 0.00 0.00 42.92 41.56 1na1 s ASP 58 CO 0.69 -0.37 0.93 -0.11 0.21 0.00 0.00 175.17 176.53 1na1 n LEU 59 N 5.19 -0.28 -4.26 1.23 7.94 -1.26 -4.95 117.00 120.60 1na1 n LEU 59 Ca -0.11 1.14 -0.35 0.00 -1.11 0.00 0.00 56.01 55.58 1na1 n LEU 59 Cb 0.48 -0.91 -0.14 0.00 0.53 0.00 0.00 43.42 43.38 1na1 n LEU 59 CO 0.40 -2.12 -0.41 -0.04 -1.11 0.00 0.00 177.39 174.11 1na1 s MET 60 N -0.22 3.19 0.04 1.96 -1.94 -1.26 -5.10 119.30 115.98 1na1 s MET 60 Ca 0.84 -0.74 -0.26 0.00 -1.71 0.00 0.00 55.69 53.82 1na1 s MET 60 Cb -1.18 -2.94 -0.05 0.00 2.01 0.00 0.00 34.83 32.67 1na1 s MET 60 CO 0.56 -0.25 0.79 -0.51 -0.01 0.00 0.00 175.02 175.60 1na1 s LEU 61 N 1.42 4.44 0.18 -0.03 1.02 -1.26 -5.00 118.68 119.44 1na1 s LEU 61 Ca 0.04 1.47 -0.32 0.00 0.02 0.00 0.00 54.13 55.35 1na1 s LEU 61 Cb -0.15 -3.27 -0.11 0.00 0.02 0.00 0.00 46.19 42.68 1na1 s LEU 61 CO -0.05 -0.02 1.76 -0.75 0.02 0.00 0.00 176.35 177.31 1na1 s LYS 62 N 0.08 4.13 0.00 1.70 2.20 -1.26 -1.52 119.74 125.07 1na1 s LYS 62 Ca 0.40 2.60 0.00 0.00 -0.36 0.00 0.00 55.97 58.61 1na1 s LYS 62 Cb -0.21 -3.26 0.00 0.00 -1.51 0.00 0.00 37.83 32.85 1na1 s LYS 62 CO 0.23 -0.78 0.00 0.41 -0.36 0.00 0.00 175.35 174.85 1na1 n GLY 63 N 4.06 3.29 3.83 5.54 0.00 -1.26 -5.04 105.19 115.62 1na1 n GLY 63 Ca 0.16 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.82 1na1 n GLY 63 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1na1 s ALA 64 N -2.94 3.61 -0.13 4.61 0.00 -0.58 -4.98 121.76 121.34 1na1 s ALA 64 Ca 0.00 -0.09 -0.38 0.00 0.00 0.00 0.00 51.96 51.49 1na1 s ALA 64 Cb 0.00 -2.53 -0.16 0.00 0.00 0.00 0.00 23.12 20.43 1na1 s ALA 64 CO 0.00 0.44 1.62 -0.35 0.00 0.00 0.00 175.76 177.47 1na1 n PRO 65 N 1.31 1.27 -0.23 0.00 -0.04 -1.26 -4.76 135.00 131.28 1na1 n PRO 65 Ca -0.09 0.46 0.06 0.00 -0.04 0.00 0.00 63.50 63.89 1na1 n PRO 65 Cb 0.51 -2.15 0.32 0.00 -0.04 0.00 0.00 33.50 32.14 1na1 n PRO 65 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1na1 h ALA 66 N 6.44 1.65 -3.83 0.55 0.00 -1.94 -3.34 119.26 118.79 1na1 h ALA 66 Ca -0.47 -0.02 -0.67 0.00 0.00 0.00 0.00 54.91 53.75 1na1 h ALA 66 Cb 1.32 -0.22 -0.37 0.00 0.00 0.00 0.00 17.79 18.52 1na1 h ALA 66 CO 0.90 0.22 -0.80 -0.51 0.00 0.00 0.00 179.25 179.06 1na1 s LEU 67 N -9.81 3.40 0.00 0.00 1.43 -1.26 -5.07 118.68 107.37 1na1 s LEU 67 Ca -0.10 -1.36 0.25 0.00 -1.03 0.00 0.00 54.13 51.89 1na1 s LEU 67 Cb 0.20 -1.55 0.51 0.00 0.03 0.00 0.00 46.19 45.38 1na1 s LEU 67 CO 0.78 -0.18 1.44 -0.46 0.23 0.00 0.00 176.35 178.16