#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1iyt n ALA 2 N 0.00 -3.09 -0.79 2.12 0.00 -1.26 -4.49 120.51 113.01 1iyt n ALA 2 Ca 0.00 0.79 0.00 0.00 0.00 0.00 0.00 53.44 54.23 1iyt n ALA 2 Cb 0.00 -1.60 0.00 0.00 0.00 0.00 0.00 19.45 17.85 1iyt n ALA 2 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 1iyt n GLU 3 N 0.73 -0.49 -0.22 0.00 4.71 -1.26 -4.84 120.64 119.27 1iyt n GLU 3 Ca -0.13 0.12 -0.08 0.00 -0.01 0.00 0.00 57.16 57.07 1iyt n GLU 3 Cb 0.20 -4.02 0.05 0.00 -1.01 0.00 0.00 31.44 26.66 1iyt n GLU 3 CO 0.00 0.00 0.00 0.27 0.09 0.00 0.00 177.13 177.49 1iyt h PHE 4 N 0.00 1.16 0.08 -0.32 -0.00 -2.02 -3.12 116.94 112.72 1iyt h PHE 4 Ca 0.00 -0.17 -0.25 0.00 -0.00 0.00 0.00 57.97 57.55 1iyt h PHE 4 Cb 0.24 -0.31 -0.01 0.00 -0.00 0.00 0.00 35.95 35.87 1iyt h PHE 4 CO 0.15 0.98 -1.15 0.00 -0.00 0.00 0.00 178.31 178.29 1iyt h ARG 5 N 1.01 0.19 0.00 6.09 2.47 -1.95 -3.45 114.38 118.73 1iyt h ARG 5 Ca 0.20 -0.32 0.00 0.00 -1.26 0.00 0.00 59.98 58.60 1iyt h ARG 5 Cb 0.46 0.12 0.00 0.00 -1.65 0.00 0.00 29.97 28.90 1iyt h ARG 5 CO 0.02 1.15 0.00 1.58 0.56 0.00 0.00 179.97 183.27 1iyt n HIS 6 N -3.48 0.00 -1.85 3.04 -0.00 -1.18 -4.83 115.22 106.92 1iyt n HIS 6 Ca -0.06 0.00 -0.19 0.00 0.46 0.00 0.00 57.72 57.93 1iyt n HIS 6 Cb 0.99 0.00 -0.06 0.00 -0.12 0.00 0.00 29.99 30.80 1iyt n HIS 6 CO 0.00 0.00 0.00 -3.47 0.46 0.00 0.00 176.34 173.33 1iyt n ASP 7 N 0.00 -5.14 0.08 0.26 2.03 -1.23 -4.88 116.55 107.66 1iyt n ASP 7 Ca 0.00 0.31 -0.10 0.00 0.52 0.00 0.00 54.79 55.52 1iyt n ASP 7 Cb 0.00 -4.48 -0.07 0.00 -0.72 0.00 0.00 41.12 35.85 1iyt n ASP 7 CO 0.00 0.00 0.00 0.77 -1.92 0.00 0.00 177.20 176.05 1iyt h SER 8 N 0.00 -0.24 0.08 1.67 4.64 -1.91 0.46 113.55 118.25 1iyt h SER 8 Ca -0.41 -0.26 0.00 0.00 -0.47 0.00 0.00 61.79 60.65 1iyt h SER 8 Cb 1.27 0.06 0.00 0.00 -0.31 0.00 0.00 62.40 63.42 1iyt h SER 8 CO 0.55 0.28 0.00 0.61 -0.87 0.00 0.00 176.83 177.40 1iyt n GLY 9 N 0.57 -0.40 0.08 -0.77 0.00 -1.26 -0.09 105.19 103.31 1iyt n GLY 9 Ca -0.07 -0.03 -0.08 0.00 0.00 0.00 0.00 46.02 45.84 1iyt n GLY 9 CO 0.00 0.00 0.00 2.98 0.00 0.00 0.00 173.32 176.30 1iyt n TYR 10 N -1.24 0.62 0.01 1.61 4.19 -1.09 -4.48 117.16 116.79 1iyt n TYR 10 Ca 0.03 0.27 0.18 0.00 3.31 0.00 0.00 57.90 61.69 1iyt n TYR 10 Cb 0.04 -0.73 0.67 0.00 0.49 0.00 0.00 39.34 39.80 1iyt n TYR 10 CO 0.00 0.00 0.00 0.93 0.91 0.00 0.00 176.86 178.70 1iyt h GLU 11 N -1.00 0.04 0.00 2.98 5.08 -0.36 -3.33 114.58 117.99 1iyt h GLU 11 Ca -0.06 -0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.30 1iyt h GLU 11 Cb 0.76 -0.01 0.00 0.00 0.50 0.00 0.00 28.75 30.00 1iyt h GLU 11 CO -0.03 0.03 0.00 1.55 -1.00 0.00 0.00 179.01 179.55 1iyt n VAL 12 N -4.40 0.00 -0.17 3.13 3.14 0.87 -0.91 118.33 119.99 1iyt n VAL 12 Ca 0.09 1.01 -0.10 0.00 -2.96 0.00 0.00 64.34 62.37 1iyt n VAL 12 Cb 0.54 -1.46 0.00 0.00 -1.06 0.00 0.00 33.84 31.86 1iyt n VAL 12 CO 0.00 0.00 0.00 0.45 -6.46 0.00 0.00 176.83 170.82 1iyt h HIS 13 N 0.00 1.04 -0.94 1.45 3.86 -1.86 0.41 115.15 119.12 1iyt h HIS 13 Ca 0.00 -0.21 0.28 0.00 -1.16 0.00 0.00 60.37 59.27 1iyt h HIS 13 Cb 0.00 -0.26 -0.16 0.00 1.06 0.00 0.00 27.41 28.05 1iyt h HIS 13 CO -0.21 0.99 0.22 0.45 0.86 0.00 0.00 177.93 180.24 1iyt h HIS 14 N 0.79 0.30 0.09 2.45 -0.00 -1.61 0.26 115.15 117.44 1iyt h HIS 14 Ca 0.13 0.06 -0.37 0.00 -0.00 0.00 0.00 60.37 60.18 1iyt h HIS 14 Cb 0.64 0.02 -0.03 0.00 -0.00 0.00 0.00 27.41 28.04 1iyt h HIS 14 CO 0.05 -0.33 -2.11 0.00 -0.00 0.00 0.00 177.93 175.54 1iyt n GLN 15 N -5.32 0.73 -0.16 2.45 10.64 -0.09 -4.17 117.38 121.47 1iyt n GLN 15 Ca 0.25 0.23 0.11 0.00 -1.83 0.00 0.00 57.00 55.76 1iyt n GLN 15 Cb 0.81 -1.66 0.44 0.00 -0.86 0.00 0.00 30.24 28.96 1iyt n GLN 15 CO 0.00 0.00 0.00 1.57 -1.83 0.00 0.00 177.06 176.80 1iyt h LYS 16 N 0.05 0.54 0.00 2.61 5.09 0.42 0.43 116.57 125.71 1iyt h LYS 16 Ca -0.46 -0.03 0.00 0.00 0.09 0.00 0.00 60.65 60.25 1iyt h LYS 16 Cb 2.00 -0.12 0.00 0.00 0.10 0.00 0.00 32.23 34.21 1iyt h LYS 16 CO 0.05 0.36 0.00 1.25 -2.09 0.00 0.00 179.45 179.02 1iyt h LEU 17 N 0.56 0.00 0.00 7.07 6.46 -0.67 0.14 115.31 128.87 1iyt h LEU 17 Ca 0.33 0.00 0.00 0.00 -0.12 0.00 0.00 57.88 58.09 1iyt h LEU 17 Cb 0.53 0.00 0.00 0.00 -0.73 0.00 0.00 40.66 40.46 1iyt h LEU 17 CO -0.11 0.00 -0.69 0.52 -0.62 0.00 0.00 178.44 177.54 1iyt n VAL 18 N -2.61 1.18 -0.14 1.05 0.31 0.10 -4.11 118.33 114.12 1iyt n VAL 18 Ca 0.03 0.23 -0.04 0.00 -0.01 0.00 0.00 64.34 64.54 1iyt n VAL 18 Cb 0.34 -2.19 0.04 0.00 -0.91 0.00 0.00 33.84 31.13 1iyt n VAL 18 CO 0.00 0.00 0.00 -0.26 -1.32 0.00 0.00 176.83 175.25 1iyt h PHE 19 N -0.80 0.27 -0.11 3.52 -1.00 -0.31 0.17 116.94 118.67 1iyt h PHE 19 Ca 0.00 0.02 -0.01 0.00 2.81 0.00 0.00 57.97 60.79 1iyt h PHE 19 Cb 0.69 -0.05 -0.00 0.00 3.61 0.00 0.00 35.95 40.19 1iyt h PHE 19 CO -0.30 0.09 0.02 0.35 -1.61 0.00 0.00 178.31 176.87 1iyt h PHE 20 N 0.32 0.20 -0.86 -0.55 3.57 -1.13 0.17 116.94 118.65 1iyt h PHE 20 Ca 0.21 -0.03 0.10 0.00 3.53 0.00 0.00 57.97 61.78 1iyt h PHE 20 Cb 0.20 -0.06 -0.07 0.00 2.79 0.00 0.00 35.95 38.82 1iyt h PHE 20 CO -0.16 0.38 0.51 0.00 -2.23 0.00 0.00 178.31 176.81 1iyt h ALA 21 N 0.79 1.24 0.04 2.41 0.00 -1.60 0.13 119.26 122.28 1iyt h ALA 21 Ca 0.03 0.03 -0.00 0.00 0.00 0.00 0.00 54.91 54.97 1iyt h ALA 21 Cb 0.29 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 17.93 1iyt h ALA 21 CO 0.00 0.14 -0.02 0.93 0.00 0.00 0.00 179.25 180.30 1iyt h GLU 22 N 0.85 -0.05 -0.05 0.00 4.39 -0.38 0.33 114.58 119.66 1iyt h GLU 22 Ca 0.41 0.00 0.03 0.00 0.34 0.00 0.00 59.36 60.15 1iyt h GLU 22 Cb 0.37 0.01 -0.04 0.00 -0.10 0.00 0.00 28.75 29.00 1iyt h GLU 22 CO -0.25 0.11 -0.14 -0.44 -1.16 0.00 0.00 179.01 177.13 1iyt h ASP 23 N -0.21 -0.43 0.50 1.42 3.32 0.14 0.13 116.42 121.29 1iyt h ASP 23 Ca -0.01 0.07 -0.02 0.00 0.02 0.00 0.00 57.03 57.10 1iyt h ASP 23 Cb 0.19 0.19 -0.01 0.00 0.22 0.00 0.00 39.33 39.92 1iyt h ASP 23 CO 0.01 -0.20 -0.31 0.58 -1.72 0.00 0.00 179.24 177.60 1iyt h VAL 24 N -0.21 0.36 0.17 -1.35 2.07 -0.78 -2.81 116.25 113.70 1iyt h VAL 24 Ca 0.07 0.00 0.01 0.00 0.82 0.00 0.00 66.70 67.60 1iyt h VAL 24 Cb 0.31 0.36 -0.03 0.00 -1.52 0.00 0.00 31.29 30.41 1iyt h VAL 24 CO -0.18 0.00 -0.29 1.23 0.02 0.00 0.00 177.57 178.35 1iyt h GLY 25 N -0.77 -0.57 -1.10 2.17 0.00 0.06 -1.06 103.07 101.80 1iyt h GLY 25 Ca -0.06 0.34 0.00 0.00 0.00 0.00 0.00 47.33 47.61 1iyt h GLY 25 CO 0.06 -0.24 0.00 1.44 0.00 0.00 0.00 176.54 177.80 1iyt n SER 26 N -5.40 1.37 -2.77 0.19 7.64 0.42 -2.62 113.62 112.46 1iyt n SER 26 Ca -0.07 -2.10 -0.00 0.00 1.01 0.00 0.00 58.87 57.71 1iyt n SER 26 Cb 0.31 -0.41 0.06 0.00 -1.01 0.00 0.00 64.21 63.17 1iyt n SER 26 CO 0.00 0.00 0.00 0.59 -3.01 0.00 0.00 175.04 172.62 1iyt n ASN 27 N 0.01 0.95 -0.24 6.43 3.02 -0.49 -4.94 115.26 120.00 1iyt n ASN 27 Ca 0.04 -2.06 0.01 0.00 -0.03 0.00 0.00 54.58 52.54 1iyt n ASN 27 Cb 0.31 -0.24 0.13 0.00 -0.61 0.00 0.00 39.78 39.37 1iyt n ASN 27 CO 0.00 0.00 0.00 0.50 -2.62 0.00 0.00 177.26 175.14 1iyt h LYS 28 N 2.24 0.57 -0.49 3.52 3.64 -1.07 0.27 116.57 125.25 1iyt h LYS 28 Ca -0.21 -0.03 0.14 0.00 -1.27 0.00 0.00 60.65 59.28 1iyt h LYS 28 Cb 1.29 -0.13 -0.02 0.00 -0.41 0.00 0.00 32.23 32.96 1iyt h LYS 28 CO 0.10 0.38 0.46 0.78 -2.27 0.00 0.00 179.45 178.90 1iyt h GLY 29 N 0.59 0.00 0.00 5.01 0.00 -1.88 0.47 103.07 107.26 1iyt h GLY 29 Ca 0.34 0.00 -0.18 0.00 0.00 0.00 0.00 47.33 47.49 1iyt h GLY 29 CO -0.27 0.00 -1.20 0.00 0.00 0.00 0.00 176.54 175.08 1iyt n ALA 30 N -2.43 0.75 0.57 3.60 0.00 0.70 -4.29 120.51 119.41 1iyt n ALA 30 Ca 0.09 -0.57 0.06 0.00 0.00 0.00 0.00 53.44 53.02 1iyt n ALA 30 Cb 0.66 -0.26 0.30 0.00 0.00 0.00 0.00 19.45 20.16 1iyt n ALA 30 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 177.50 176.61 1iyt n ILE 31 N -4.46 0.64 -0.21 0.00 -0.00 0.25 -3.54 119.36 112.03 1iyt n ILE 31 Ca -0.27 0.16 0.14 0.00 -0.00 0.00 0.00 62.75 62.78 1iyt n ILE 31 Cb 0.58 -0.97 0.27 0.00 -0.00 0.00 0.00 39.64 39.52 1iyt n ILE 31 CO 0.00 0.00 0.00 -0.38 -0.00 0.00 0.00 176.55 176.17 1iyt n ILE 32 N -1.26 -0.26 -0.32 1.39 2.08 0.16 0.09 119.36 121.23 1iyt n ILE 32 Ca 0.06 1.33 -0.03 0.00 0.56 0.00 0.00 62.75 64.67 1iyt n ILE 32 Cb 0.09 -2.03 0.02 0.00 -0.75 0.00 0.00 39.64 36.97 1iyt n ILE 32 CO 0.00 0.00 0.00 1.23 0.56 0.00 0.00 176.55 178.34 1iyt h GLY 33 N 0.00 -0.03 1.20 7.39 0.00 -1.86 0.24 103.07 110.00 1iyt h GLY 33 Ca 0.45 0.50 -0.12 0.00 0.00 0.00 0.00 47.33 48.16 1iyt h GLY 33 CO -0.54 -0.20 -0.19 0.17 0.00 0.00 0.00 176.54 175.79 1iyt h LEU 34 N -0.06 0.94 -0.54 3.11 8.10 -0.68 0.15 115.31 126.33 1iyt h LEU 34 Ca 0.30 -0.34 0.06 0.00 0.11 0.00 0.00 57.88 58.01 1iyt h LEU 34 Cb 0.58 -0.26 -0.05 0.00 -0.44 0.00 0.00 40.66 40.49 1iyt h LEU 34 CO -0.87 1.10 0.26 -0.03 -4.11 0.00 0.00 178.44 174.78 1iyt h MET 35 N 0.81 0.48 -0.15 0.17 4.05 -0.72 0.29 114.93 119.86 1iyt h MET 35 Ca 0.11 -0.03 -0.15 0.00 -0.28 0.00 0.00 59.70 59.36 1iyt h MET 35 Cb 0.74 -0.11 0.00 0.00 -0.80 0.00 0.00 31.60 31.44 1iyt h MET 35 CO 0.06 0.32 -0.48 0.28 0.23 0.00 0.00 176.91 177.32 1iyt h VAL 36 N 0.49 1.34 -0.77 -5.77 2.07 -0.46 -3.29 116.25 109.86 1iyt h VAL 36 Ca 0.24 -1.75 0.02 0.00 0.82 0.00 0.00 66.70 66.04 1iyt h VAL 36 Cb 0.18 2.03 -0.04 0.00 -1.52 0.00 0.00 31.29 31.94 1iyt h VAL 36 CO -0.19 0.54 0.50 1.23 0.02 0.00 0.00 177.57 179.67 1iyt h GLY 37 N 0.23 1.11 1.28 2.17 0.00 -0.00 -0.08 103.07 107.78 1iyt h GLY 37 Ca -0.02 -0.39 0.07 0.00 0.00 0.00 0.00 47.33 46.99 1iyt h GLY 37 CO 0.10 0.35 0.33 -1.33 0.00 0.00 0.00 176.54 175.99 1iyt h GLY 38 N 1.00 0.49 2.00 4.60 0.00 -0.53 -1.47 103.07 109.15 1iyt h GLY 38 Ca 0.30 -0.16 0.00 0.00 0.00 0.00 0.00 47.33 47.47 1iyt h GLY 38 CO -0.09 0.12 0.00 -0.62 0.00 0.00 0.00 176.54 175.95 1iyt n VAL 39 N -4.47 0.74 -0.24 4.60 0.31 -0.05 -2.55 118.33 116.66 1iyt n VAL 39 Ca 0.07 0.17 -0.00 0.00 -0.01 0.00 0.00 64.34 64.56 1iyt n VAL 39 Cb 0.27 -0.89 0.12 0.00 -0.91 0.00 0.00 33.84 32.43 1iyt n VAL 39 CO 0.00 0.00 0.00 0.58 -1.32 0.00 0.00 176.83 176.09 1iyt h VAL 40 N 0.00 0.93 -1.14 2.52 2.07 -1.27 -3.43 116.25 115.93 1iyt h VAL 40 Ca 0.00 -0.23 -0.53 0.00 0.82 0.00 0.00 66.70 66.76 1iyt h VAL 40 Cb 0.34 0.20 -0.04 0.00 -1.52 0.00 0.00 31.29 30.27 1iyt h VAL 40 CO 0.00 0.12 -0.34 -0.63 0.02 0.00 0.00 177.57 176.74 1iyt s ILE 41 N -6.08 2.23 0.00 4.57 1.01 -1.06 -5.18 121.20 116.69 1iyt s ILE 41 Ca -0.13 -1.41 0.00 0.00 0.00 0.00 0.00 60.65 59.11 1iyt s ILE 41 Cb 0.17 -2.64 0.00 0.00 0.01 0.00 0.00 42.46 40.00 1iyt s ILE 41 CO 0.76 0.00 0.00 0.00 0.00 0.00 0.00 174.94 175.70