#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2nz3 s THR 2 N 0.00 3.25 -0.39 0.00 -4.23 -1.26 -4.74 115.64 108.27 2nz3 s THR 2 Ca 0.00 1.23 -0.05 0.00 -1.18 0.00 0.00 61.69 61.70 2nz3 s THR 2 Cb 0.00 -3.78 -0.12 0.00 1.34 0.00 0.00 72.50 69.93 2nz3 s THR 2 CO 0.00 0.28 2.33 0.00 -0.54 0.00 0.00 174.62 176.69 2nz3 s ASP 4 N 2.73 7.11 0.06 0.00 2.15 -1.26 -2.22 116.67 125.24 2nz3 s ASP 4 Ca 0.42 1.33 0.00 0.00 0.43 0.00 0.00 52.55 54.72 2nz3 s ASP 4 Cb 0.16 -2.43 0.00 0.00 -0.30 0.00 0.00 42.92 40.35 2nz3 s ASP 4 CO -0.01 0.01 0.00 -0.11 -0.17 0.00 0.00 175.17 174.88 2nz3 n LEU 5 N 2.99 -0.54 -4.32 -1.34 -0.00 -1.26 -4.79 117.00 107.74 2nz3 n LEU 5 Ca -0.03 0.15 -0.43 0.00 -0.00 0.00 0.00 56.01 55.70 2nz3 n LEU 5 Cb 0.51 0.78 0.00 0.00 -0.00 0.00 0.00 43.42 44.71 2nz3 n LEU 5 CO 0.46 -0.21 2.03 0.00 -0.00 0.00 0.00 177.39 179.68 2nz3 n ALA 6 N -2.50 4.18 -0.55 1.96 0.00 -1.26 -4.95 120.51 117.38 2nz3 n ALA 6 Ca 0.00 -3.96 -0.22 0.00 0.00 0.00 0.00 53.44 49.26 2nz3 n ALA 6 Cb 0.00 -3.45 -0.03 0.00 0.00 0.00 0.00 19.45 15.97 2nz3 n ALA 6 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 2nz3 n SER 7 N 7.07 0.04 0.00 0.00 7.64 -1.26 0.61 113.62 127.72 2nz3 n SER 7 Ca 0.47 0.42 0.00 0.00 1.01 0.00 0.00 58.87 60.77 2nz3 n SER 7 Cb 0.43 -0.33 0.00 0.00 -1.01 0.00 0.00 64.21 63.30 2nz3 n SER 7 CO 0.00 0.00 0.00 -0.38 -3.01 0.00 0.00 175.04 171.65 2nz3 n ILE 8 N 0.63 0.00 -1.07 0.44 -0.00 -1.26 -4.35 119.36 113.75 2nz3 n ILE 8 Ca 0.08 0.00 -0.22 0.00 -0.00 0.00 0.00 62.75 62.60 2nz3 n ILE 8 Cb 0.02 0.00 0.04 0.00 -0.00 0.00 0.00 39.64 39.70 2nz3 n ILE 8 CO 0.00 0.00 0.00 2.22 -0.00 0.00 0.00 176.55 178.77 2nz3 n PHE 9 N 0.00 1.94 -1.27 1.39 1.16 -0.94 -4.96 117.46 114.79 2nz3 n PHE 9 Ca 0.00 -2.20 -0.33 0.00 -1.87 0.00 0.00 57.45 53.04 2nz3 n PHE 9 Cb 0.00 -1.12 0.11 0.00 -1.61 0.00 0.00 39.48 36.86 2nz3 n PHE 9 CO 0.00 0.00 0.00 0.54 -1.87 0.00 0.00 176.76 175.43 2nz3 s ASN 10 N -0.26 3.97 -0.32 5.98 6.03 0.20 -4.76 114.94 125.79 2nz3 s ASN 10 Ca 0.42 2.26 -0.37 0.00 -1.03 0.00 0.00 52.86 54.13 2nz3 s ASN 10 Cb 0.32 -2.58 -0.13 0.00 -3.03 0.00 0.00 41.25 35.83 2nz3 s ASN 10 CO -0.04 -2.40 2.04 0.52 -2.03 0.00 0.00 177.10 175.19 2nz3 n VAL 11 N -3.12 0.24 0.13 3.54 0.31 -0.94 -4.75 118.33 113.74 2nz3 n VAL 11 Ca 0.13 -0.17 0.06 0.00 -0.01 0.00 0.00 64.34 64.35 2nz3 n VAL 11 Cb 0.51 -1.46 0.33 0.00 -0.91 0.00 0.00 33.84 32.31 2nz3 n VAL 11 CO 0.00 0.00 0.00 -0.46 -1.32 0.00 0.00 176.83 175.05 2nz3 n ASN 12 N 8.21 0.31 -3.72 4.52 2.04 -1.26 -4.24 115.26 121.11 2nz3 n ASN 12 Ca 0.37 0.55 -0.29 0.00 -0.44 0.00 0.00 54.58 54.76 2nz3 n ASN 12 Cb 0.19 -0.52 -0.05 0.00 -2.53 0.00 0.00 39.78 36.86 2nz3 n ASN 12 CO 0.00 0.00 0.00 0.00 -0.44 0.00 0.00 177.26 176.82 2nz3 n HIS 13 N -1.95 -1.15 0.00 -2.53 1.44 -1.26 -4.29 115.22 105.47 2nz3 n HIS 13 Ca -0.01 0.47 0.00 0.00 -2.01 0.00 0.00 57.72 56.17 2nz3 n HIS 13 Cb 0.25 -1.45 0.00 0.00 0.12 0.00 0.00 29.99 28.91 2nz3 n HIS 13 CO 0.00 0.00 0.00 0.00 -2.81 0.00 0.00 176.34 173.53 2nz3 n ALA 14 N -3.27 0.43 -0.09 1.59 0.00 -1.26 -4.82 120.51 113.09 2nz3 n ALA 14 Ca 0.08 0.00 -0.14 0.00 0.00 0.00 0.00 53.44 53.38 2nz3 n ALA 14 Cb 0.40 0.00 -0.04 0.00 0.00 0.00 0.00 19.45 19.81 2nz3 n ALA 14 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.50 178.75 2nz3 h LEU 15 N 0.00 0.96 0.05 0.00 6.46 -1.98 -0.02 115.31 120.78 2nz3 h LEU 15 Ca 0.00 -0.51 0.00 0.00 -0.12 0.00 0.00 57.88 57.26 2nz3 h LEU 15 Cb 0.00 -0.27 -0.00 0.00 -0.73 0.00 0.00 40.66 39.65 2nz3 h LEU 15 CO 0.00 1.27 -0.05 0.00 -0.62 0.00 0.00 178.44 179.05 2nz3 h ALA 17 N 0.84 1.37 -0.77 0.00 0.00 -1.86 -3.00 119.26 115.83 2nz3 h ALA 17 Ca 0.00 -0.18 0.15 0.00 0.00 0.00 0.00 54.91 54.88 2nz3 h ALA 17 Cb 0.11 -0.17 -0.10 0.00 0.00 0.00 0.00 17.79 17.63 2nz3 h ALA 17 CO -0.01 0.45 0.31 0.00 0.00 0.00 0.00 179.25 180.00 2nz3 h ALA 18 N 1.49 1.10 -0.62 0.00 0.00 -0.61 0.53 119.26 121.15 2nz3 h ALA 18 Ca 0.13 0.12 0.05 0.00 0.00 0.00 0.00 54.91 55.20 2nz3 h ALA 18 Cb 0.28 0.09 -0.05 0.00 0.00 0.00 0.00 17.79 18.11 2nz3 h ALA 18 CO 0.00 -0.21 0.35 1.25 0.00 0.00 0.00 179.25 180.64 2nz3 h HIS 19 N 0.45 0.65 -0.01 0.00 6.17 -1.49 0.56 115.15 121.48 2nz3 h HIS 19 Ca 0.43 0.02 -0.00 0.00 0.71 0.00 0.00 60.37 61.53 2nz3 h HIS 19 Cb 0.66 -0.20 -0.00 0.00 2.52 0.00 0.00 27.41 30.39 2nz3 h HIS 19 CO -0.16 0.33 -0.01 0.00 0.71 0.00 0.00 177.93 178.80 2nz3 h ILE 21 N -0.50 0.75 -0.86 0.00 2.04 0.24 0.70 117.51 119.88 2nz3 h ILE 21 Ca 0.00 -0.25 0.05 0.00 1.00 0.00 0.00 64.86 65.66 2nz3 h ILE 21 Cb 0.53 -0.05 -0.06 0.00 -0.74 0.00 0.00 36.82 36.50 2nz3 h ILE 21 CO 0.00 0.13 0.54 0.00 0.00 0.00 0.00 178.15 178.83 2nz3 h ALA 22 N 1.59 1.16 -0.22 1.87 0.00 -0.88 -0.08 119.26 122.70 2nz3 h ALA 22 Ca 0.51 -0.02 -0.04 0.00 0.00 0.00 0.00 54.91 55.37 2nz3 h ALA 22 Cb 0.72 -0.26 -0.02 0.00 0.00 0.00 0.00 17.79 18.23 2nz3 h ALA 22 CO -0.35 0.32 0.05 0.54 0.00 0.00 0.00 179.25 179.80 2nz3 n ARG 23 N -4.59 2.08 -2.91 0.00 1.74 0.03 -4.85 116.66 108.16 2nz3 n ARG 23 Ca 0.12 -1.01 -0.11 0.00 -0.77 0.00 0.00 57.85 56.08 2nz3 n ARG 23 Cb 0.14 -1.67 0.05 0.00 -1.02 0.00 0.00 32.46 29.96 2nz3 n ARG 23 CO 0.00 0.00 0.00 0.54 -1.52 0.00 0.00 177.63 176.65 2nz3 n ARG 24 N 0.15 -4.05 -4.38 5.56 5.12 -0.04 -5.05 116.66 113.97 2nz3 n ARG 24 Ca 0.11 0.49 -0.20 0.00 -1.93 0.00 0.00 57.85 56.31 2nz3 n ARG 24 Cb 0.63 -4.44 -0.10 0.00 -1.16 0.00 0.00 32.46 27.39 2nz3 n ARG 24 CO 0.00 0.00 0.00 0.71 -1.93 0.00 0.00 177.63 176.41 2nz3 s TYR 25 N -3.20 1.89 0.32 -1.55 1.51 -0.04 -4.95 117.35 111.33 2nz3 s TYR 25 Ca 0.10 -0.49 0.08 0.00 -1.01 0.00 0.00 57.07 55.75 2nz3 s TYR 25 Cb -0.04 -0.86 0.56 0.00 -0.11 0.00 0.00 41.96 41.51 2nz3 s TYR 25 CO 0.42 0.46 1.76 -0.09 -1.11 0.00 0.00 175.55 176.99 2nz3 h ARG 26 N 2.53 0.18 0.00 -0.62 9.65 -1.84 -3.03 114.38 121.24 2nz3 h ARG 26 Ca -0.39 -0.08 0.00 0.00 -1.10 0.00 0.00 59.98 58.41 2nz3 h ARG 26 Cb 1.23 -0.01 0.00 0.00 -1.39 0.00 0.00 29.97 29.80 2nz3 h ARG 26 CO 0.61 0.53 0.00 0.41 2.80 0.00 0.00 179.97 184.31 2nz3 n GLY 27 N -0.34 0.60 3.82 2.80 0.00 -1.26 -4.72 105.19 106.08 2nz3 n GLY 27 Ca -0.01 -1.74 -0.22 0.00 0.00 0.00 0.00 46.02 44.05 2nz3 n GLY 27 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2nz3 s GLY 28 N 0.00 1.55 -0.02 -0.02 0.00 -1.25 0.13 107.32 107.70 2nz3 s GLY 28 Ca 0.00 -1.51 -0.02 0.00 0.00 0.00 0.00 44.72 43.19 2nz3 s GLY 28 CO 0.00 -1.52 0.06 -2.52 0.00 0.00 0.00 173.10 169.11 2nz3 s TYR 29 N -2.21 -0.06 -0.09 1.90 1.13 -0.90 -4.84 117.35 112.28 2nz3 s TYR 29 Ca 0.35 0.15 -0.30 0.00 -1.41 0.00 0.00 57.07 55.87 2nz3 s TYR 29 Cb -0.07 0.01 -0.04 0.00 -1.10 0.00 0.00 41.96 40.76 2nz3 s TYR 29 CO 0.25 -0.03 1.42 0.00 -2.51 0.00 0.00 175.55 174.68 2nz3 n ASN 31 N 6.53 0.00 -0.17 0.00 0.23 -0.79 -4.81 115.26 116.24 2nz3 n ASN 31 Ca 0.15 0.00 -0.08 0.00 -0.53 0.00 0.00 54.58 54.11 2nz3 n ASN 31 Cb 0.44 0.00 0.05 0.00 -2.08 0.00 0.00 39.78 38.19 2nz3 n ASN 31 CO 0.00 0.00 0.00 -1.28 -0.93 0.00 0.00 177.26 175.05 2nz3 h SER 32 N 0.00 0.97 -0.20 0.53 0.87 -1.95 -1.99 113.55 111.79 2nz3 h SER 32 Ca 0.00 -0.29 0.00 0.00 -1.23 0.00 0.00 61.79 60.27 2nz3 h SER 32 Cb 0.00 -0.26 0.00 0.00 -0.44 0.00 0.00 62.40 61.70 2nz3 h SER 32 CO 0.00 1.06 0.00 0.29 -0.53 0.00 0.00 176.83 177.65 2nz3 n LYS 33 N -4.16 1.56 -2.03 2.24 4.01 -1.26 -4.85 118.16 113.66 2nz3 n LYS 33 Ca 0.02 -0.75 -0.19 0.00 -0.51 0.00 0.00 58.31 56.88 2nz3 n LYS 33 Cb 0.37 -1.24 -0.04 0.00 -0.51 0.00 0.00 35.03 33.61 2nz3 n LYS 33 CO 0.00 0.00 0.00 0.00 -1.11 0.00 0.00 177.40 176.29 2nz3 n ALA 34 N 0.11 -0.45 -2.32 7.82 0.00 -0.75 -4.87 120.51 120.05 2nz3 n ALA 34 Ca 0.07 0.22 -0.40 0.00 0.00 0.00 0.00 53.44 53.33 2nz3 n ALA 34 Cb 0.22 -2.02 -0.05 0.00 0.00 0.00 0.00 19.45 17.61 2nz3 n ALA 34 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 2nz3 s VAL 35 N -2.86 4.65 -1.18 0.00 1.01 -1.26 -4.49 120.40 116.27 2nz3 s VAL 35 Ca 0.00 1.69 -0.21 0.00 0.00 0.00 0.00 61.98 63.47 2nz3 s VAL 35 Cb 0.00 -4.14 0.02 0.00 0.00 0.00 0.00 36.38 32.26 2nz3 s VAL 35 CO 0.00 0.38 1.73 0.00 0.00 0.00 0.00 175.10 177.21 2nz3 s VAL 37 N 6.28 3.42 -0.14 0.00 1.01 -0.64 -4.63 120.40 125.69 2nz3 s VAL 37 Ca 0.56 0.25 -0.23 0.00 0.00 0.00 0.00 61.98 62.56 2nz3 s VAL 37 Cb 0.01 -4.08 -0.03 0.00 0.00 0.00 0.00 36.38 32.29 2nz3 s VAL 37 CO 0.04 -1.04 0.72 0.00 0.00 0.00 0.00 175.10 174.83 2nz3 s ARG 39 N 1.58 4.25 0.00 0.00 0.52 0.12 -4.88 118.95 120.54 2nz3 s ARG 39 Ca 0.35 1.80 0.00 0.00 -0.52 0.00 0.00 55.73 57.36 2nz3 s ARG 39 Cb -0.17 -3.75 0.00 0.00 0.52 0.00 0.00 34.95 31.56 2nz3 s ARG 39 CO 0.14 -0.68 0.24 -1.71 0.02 0.00 0.00 175.30 173.31