#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 0.00 -2.81 2.24 0.00 -1.26 -4.78 120.51 113.90 1iyt n ALA 2 Ca 0.00 0.00 -0.24 0.00 0.00 0.00 0.00 53.44 53.20 1iyt n ALA 2 Cb 0.00 0.00 -0.05 0.00 0.00 0.00 0.00 19.45 19.40 1iyt n ALA 2 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 177.50 175.50 1iyt s GLU 3 N 0.00 2.93 0.00 0.00 -6.30 -1.26 -3.82 118.70 110.25 1iyt s GLU 3 Ca 0.00 -0.94 0.00 0.00 -2.50 0.00 0.00 54.97 51.53 1iyt s GLU 3 Cb 0.00 -2.62 0.00 0.00 0.00 0.00 0.00 34.13 31.51 1iyt s GLU 3 CO 0.00 0.45 0.00 0.34 0.02 0.00 0.00 175.26 176.07 1iyt n PHE 4 N -0.71 0.00 0.08 5.30 7.35 -1.26 -4.29 117.46 123.93 1iyt n PHE 4 Ca -0.08 0.00 -0.03 0.00 -0.76 0.00 0.00 57.45 56.58 1iyt n PHE 4 Cb 0.56 0.00 0.20 0.00 0.35 0.00 0.00 39.48 40.59 1iyt n PHE 4 CO 0.00 0.00 0.00 0.07 -0.76 0.00 0.00 176.76 176.07 1iyt h ARG 5 N 0.00 0.29 -0.18 -4.13 -0.00 -1.88 -3.12 114.38 105.36 1iyt h ARG 5 Ca 0.00 -0.14 0.05 0.00 -0.00 0.00 0.00 59.98 59.89 1iyt h ARG 5 Cb 0.00 -0.00 -0.01 0.00 -0.00 0.00 0.00 29.97 29.96 1iyt h ARG 5 CO 0.00 0.66 0.20 1.25 -0.00 0.00 0.00 179.97 182.08 1iyt h HIS 6 N 0.24 0.00 0.00 4.08 2.76 -1.75 -3.21 115.15 117.27 1iyt h HIS 6 Ca 0.02 0.00 0.00 0.00 -2.20 0.00 0.00 60.37 58.19 1iyt h HIS 6 Cb 0.84 0.00 0.00 0.00 1.55 0.00 0.00 27.41 29.80 1iyt h HIS 6 CO 0.02 0.00 0.00 -0.25 -1.30 0.00 0.00 177.93 176.40 1iyt n ASP 7 N -3.80 1.56 -0.10 3.26 9.92 -1.18 -4.33 116.55 121.88 1iyt n ASP 7 Ca 0.02 -1.04 -0.06 0.00 -0.53 0.00 0.00 54.79 53.18 1iyt n ASP 7 Cb 0.32 -0.28 0.01 0.00 -0.64 0.00 0.00 41.12 40.53 1iyt n ASP 7 CO 0.00 0.00 0.00 0.28 0.13 0.00 0.00 177.20 177.61 1iyt h SER 8 N 1.28 -0.34 -0.45 -2.24 0.02 -1.85 0.14 113.55 110.12 1iyt h SER 8 Ca 0.00 0.11 0.05 0.00 -0.84 0.00 0.00 61.79 61.10 1iyt h SER 8 Cb 0.47 0.23 -0.02 0.00 0.14 0.00 0.00 62.40 63.21 1iyt h SER 8 CO 0.00 -0.12 0.30 1.23 -1.14 0.00 0.00 176.83 177.10 1iyt h GLY 9 N -0.00 0.50 0.20 -3.77 0.00 -1.94 0.25 103.07 98.31 1iyt h GLY 9 Ca 0.17 -0.17 -0.01 0.00 0.00 0.00 0.00 47.33 47.33 1iyt h GLY 9 CO -0.37 0.14 -0.10 -1.82 0.00 0.00 0.00 176.54 174.39 1iyt h TYR 10 N 0.42 -0.25 -1.13 5.60 3.20 -1.64 -3.33 116.97 119.85 1iyt h TYR 10 Ca 0.19 -0.01 0.31 0.00 3.14 0.00 0.00 58.73 62.37 1iyt h TYR 10 Cb 0.22 0.08 -0.08 0.00 1.54 0.00 0.00 36.73 38.49 1iyt h TYR 10 CO -0.00 -0.15 0.77 0.93 -1.64 0.00 0.00 178.16 178.06 1iyt h GLU 11 N -0.87 0.19 -0.99 1.82 4.39 -0.57 0.23 114.58 118.77 1iyt h GLU 11 Ca -0.03 -0.01 0.28 0.00 0.34 0.00 0.00 59.36 59.94 1iyt h GLU 11 Cb 0.20 -0.04 -0.18 0.00 -0.10 0.00 0.00 28.75 28.63 1iyt h GLU 11 CO 0.04 0.12 0.06 0.28 -1.16 0.00 0.00 179.01 178.35 1iyt h VAL 12 N 0.19 0.02 0.09 3.13 2.07 -0.61 0.12 116.25 121.26 1iyt h VAL 12 Ca 0.60 -0.00 -0.25 0.00 0.82 0.00 0.00 66.70 67.86 1iyt h VAL 12 Cb 1.93 0.01 0.02 0.00 -1.52 0.00 0.00 31.29 31.74 1iyt h VAL 12 CO -0.18 0.00 -1.04 0.45 0.02 0.00 0.00 177.57 176.82 1iyt h HIS 13 N 0.01 0.87 -0.69 1.57 3.86 -1.13 0.31 115.15 119.95 1iyt h HIS 13 Ca 0.61 -0.54 0.15 0.00 -1.16 0.00 0.00 60.37 59.43 1iyt h HIS 13 Cb 1.28 -0.07 -0.10 0.00 1.06 0.00 0.00 27.41 29.57 1iyt h HIS 13 CO -0.47 1.39 0.14 0.45 0.86 0.00 0.00 177.93 180.29 1iyt h HIS 14 N 0.11 0.20 0.13 2.45 -0.00 -0.86 0.27 115.15 117.44 1iyt h HIS 14 Ca -0.16 0.04 -0.33 0.00 -0.00 0.00 0.00 60.37 59.92 1iyt h HIS 14 Cb 1.74 0.02 -0.01 0.00 -0.00 0.00 0.00 27.41 29.16 1iyt h HIS 14 CO 0.13 -0.09 -1.76 0.37 -0.00 0.00 0.00 177.93 176.59 1iyt h GLN 15 N 0.24 0.26 -0.72 2.45 4.15 -1.10 -3.25 115.11 117.14 1iyt h GLN 15 Ca 0.38 -0.45 0.03 0.00 0.77 0.00 0.00 58.65 59.38 1iyt h GLN 15 Cb 0.63 0.17 -0.04 0.00 0.21 0.00 0.00 27.48 28.45 1iyt h GLN 15 CO -0.50 1.22 0.47 -0.22 -1.93 0.00 0.00 178.83 177.87 1iyt h LYS 16 N -0.10 0.87 0.00 1.69 3.11 -0.07 0.26 116.57 122.32 1iyt h LYS 16 Ca -0.38 -0.05 -0.01 0.00 -2.81 0.00 0.00 60.65 57.40 1iyt h LYS 16 Cb 1.92 -0.20 0.00 0.00 -1.00 0.00 0.00 32.23 32.96 1iyt h LYS 16 CO 0.07 0.57 -0.06 1.25 -2.81 0.00 0.00 179.45 178.48 1iyt h LEU 17 N 0.89 0.04 -0.33 5.20 5.85 -0.63 0.35 115.31 126.69 1iyt h LEU 17 Ca 0.28 -0.85 0.03 0.00 0.84 0.00 0.00 57.88 58.19 1iyt h LEU 17 Cb 0.02 -0.01 -0.03 0.00 0.37 0.00 0.00 40.66 41.00 1iyt h LEU 17 CO -0.08 0.89 0.13 0.58 -0.34 0.00 0.00 178.44 179.62 1iyt h VAL 18 N -0.79 0.92 0.48 1.05 2.07 -1.58 0.53 116.25 118.93 1iyt h VAL 18 Ca -0.01 -0.09 -0.01 0.00 0.82 0.00 0.00 66.70 67.41 1iyt h VAL 18 Cb 0.90 0.63 -0.01 0.00 -1.52 0.00 0.00 31.29 31.28 1iyt h VAL 18 CO 0.01 0.05 -0.37 0.15 0.02 0.00 0.00 177.57 177.43 1iyt h PHE 19 N 0.27 -1.00 -0.24 1.57 3.57 -0.43 0.67 116.94 121.36 1iyt h PHE 19 Ca 0.15 -0.00 0.02 0.00 3.53 0.00 0.00 57.97 61.67 1iyt h PHE 19 Cb 0.11 0.38 -0.02 0.00 2.79 0.00 0.00 35.95 39.20 1iyt h PHE 19 CO -0.13 -0.54 0.09 0.35 -2.23 0.00 0.00 178.31 175.85 1iyt h PHE 20 N -0.84 0.17 -0.63 0.41 3.04 -0.78 0.16 116.94 118.47 1iyt h PHE 20 Ca -0.05 0.01 0.09 0.00 3.98 0.00 0.00 57.97 62.00 1iyt h PHE 20 Cb 0.72 -0.04 -0.07 0.00 2.56 0.00 0.00 35.95 39.12 1iyt h PHE 20 CO -0.16 0.08 0.28 0.00 -2.02 0.00 0.00 178.31 176.49 1iyt h ALA 21 N 1.14 0.84 -0.07 2.41 0.00 -0.70 0.92 119.26 123.80 1iyt h ALA 21 Ca 0.10 0.06 -0.00 0.00 0.00 0.00 0.00 54.91 55.07 1iyt h ALA 21 Cb 0.06 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 17.85 1iyt h ALA 21 CO -0.10 -0.12 0.04 0.93 0.00 0.00 0.00 179.25 180.00 1iyt h GLU 22 N 0.49 0.11 0.00 0.00 4.39 -0.28 0.27 114.58 119.56 1iyt h GLU 22 Ca 0.31 -0.02 0.00 0.00 0.34 0.00 0.00 59.36 60.00 1iyt h GLU 22 Cb 0.34 -0.02 0.00 0.00 -0.10 0.00 0.00 28.75 28.97 1iyt h GLU 22 CO -0.27 0.19 0.00 -0.25 -1.16 0.00 0.00 179.01 177.51 1iyt n ASP 23 N -4.97 0.01 -0.08 1.42 9.92 0.53 -0.60 116.55 122.77 1iyt n ASP 23 Ca -0.06 0.50 -0.07 0.00 -0.53 0.00 0.00 54.79 54.63 1iyt n ASP 23 Cb 0.09 -0.50 -0.02 0.00 -0.64 0.00 0.00 41.12 40.04 1iyt n ASP 23 CO 0.00 0.00 0.00 0.52 0.13 0.00 0.00 177.20 177.85 1iyt n VAL 24 N -1.51 1.42 -0.07 2.53 0.31 0.22 -4.45 118.33 116.77 1iyt n VAL 24 Ca 0.02 0.18 -0.07 0.00 -0.01 0.00 0.00 64.34 64.46 1iyt n VAL 24 Cb 0.11 -2.33 -0.01 0.00 -0.91 0.00 0.00 33.84 30.70 1iyt n VAL 24 CO 0.00 0.00 0.00 1.23 -1.32 0.00 0.00 176.83 176.74 1iyt h GLY 25 N -0.96 0.26 -3.72 2.92 0.00 -0.06 -0.80 103.07 100.70 1iyt h GLY 25 Ca 0.00 0.05 -0.49 0.00 0.00 0.00 0.00 47.33 46.89 1iyt h GLY 25 CO 0.00 -0.08 0.63 1.44 0.00 0.00 0.00 176.54 178.54 1iyt n SER 26 N -5.18 5.60 -1.24 0.19 7.64 0.23 -4.01 113.62 116.85 1iyt n SER 26 Ca -0.00 -3.43 -0.03 0.00 1.01 0.00 0.00 58.87 56.42 1iyt n SER 26 Cb 0.15 -0.90 -0.03 0.00 -1.01 0.00 0.00 64.21 62.42 1iyt n SER 26 CO 0.00 0.00 0.00 -3.20 -3.01 0.00 0.00 175.04 168.83 1iyt n ASN 27 N -0.63 -0.24 -0.32 6.43 5.15 -0.32 -4.93 115.26 120.39 1iyt n ASN 27 Ca 0.50 -2.00 0.01 0.00 -0.60 0.00 0.00 54.58 52.49 1iyt n ASN 27 Cb 1.01 0.08 0.15 0.00 -0.53 0.00 0.00 39.78 40.48 1iyt n ASN 27 CO 0.00 0.00 0.00 0.50 1.40 0.00 0.00 177.26 179.16 1iyt h LYS 28 N 0.42 0.97 -0.76 1.20 3.64 -1.66 0.19 116.57 120.57 1iyt h LYS 28 Ca -0.44 -0.06 0.22 0.00 -1.27 0.00 0.00 60.65 59.11 1iyt h LYS 28 Cb 1.59 -0.22 -0.03 0.00 -0.41 0.00 0.00 32.23 33.16 1iyt h LYS 28 CO -0.14 0.64 0.59 0.78 -2.27 0.00 0.00 179.45 179.06 1iyt h GLY 29 N 1.00 0.00 0.00 5.01 0.00 -1.93 0.30 103.07 107.46 1iyt h GLY 29 Ca 0.39 0.00 -0.28 0.00 0.00 0.00 0.00 47.33 47.44 1iyt h GLY 29 CO -0.18 0.00 -1.56 0.00 0.00 0.00 0.00 176.54 174.80 1iyt n ALA 30 N -2.61 0.88 0.12 3.60 0.00 0.46 -4.32 120.51 118.64 1iyt n ALA 30 Ca 0.15 -0.66 0.07 0.00 0.00 0.00 0.00 53.44 53.01 1iyt n ALA 30 Cb 0.87 -0.32 0.38 0.00 0.00 0.00 0.00 19.45 20.38 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 -4.40 1.36 -0.20 0.00 2.08 0.04 -2.37 119.36 115.88 1iyt n ILE 31 Ca -0.36 0.63 0.20 0.00 0.56 0.00 0.00 62.75 63.78 1iyt n ILE 31 Cb 0.71 -1.62 0.37 0.00 -0.75 0.00 0.00 39.64 38.35 1iyt n ILE 31 CO 0.00 0.00 0.00 -0.38 0.56 0.00 0.00 176.55 176.73 1iyt n ILE 32 N -1.98 -0.25 0.00 1.39 5.41 0.10 0.32 119.36 124.35 1iyt n ILE 32 Ca -0.01 1.25 -0.13 0.00 1.00 0.00 0.00 62.75 64.86 1iyt n ILE 32 Cb 0.03 -2.04 -0.09 0.00 -0.71 0.00 0.00 39.64 36.84 1iyt n ILE 32 CO 0.00 0.00 0.00 1.23 0.00 0.00 0.00 176.55 177.78 1iyt h GLY 33 N 0.00 -1.16 1.85 7.39 0.00 -1.77 0.23 103.07 109.61 1iyt h GLY 33 Ca 0.53 0.68 -0.08 0.00 0.00 0.00 0.00 47.33 48.45 1iyt h GLY 33 CO -0.47 -0.25 -0.32 1.41 0.00 0.00 0.00 176.54 176.91 1iyt h LEU 34 N -0.52 0.17 -0.38 3.11 3.38 -0.42 0.11 115.31 120.76 1iyt h LEU 34 Ca 0.02 -0.06 -0.01 0.00 0.09 0.00 0.00 57.88 57.92 1iyt h LEU 34 Cb 0.60 -0.05 -0.02 0.00 0.09 0.00 0.00 40.66 41.29 1iyt h LEU 34 CO -0.37 0.49 0.19 -0.03 0.09 0.00 0.00 178.44 178.81 1iyt h MET 35 N 0.15 0.55 -0.34 1.13 4.05 -0.49 0.35 114.93 120.33 1iyt h MET 35 Ca 0.02 -0.08 -0.15 0.00 -0.28 0.00 0.00 59.70 59.21 1iyt h MET 35 Cb 0.64 -0.10 -0.00 0.00 -0.80 0.00 0.00 31.60 31.34 1iyt h MET 35 CO 0.05 0.48 -0.39 0.28 0.23 0.00 0.00 176.91 177.55 1iyt h VAL 36 N 0.48 1.28 -0.01 -5.77 2.07 -0.25 -2.78 116.25 111.27 1iyt h VAL 36 Ca 0.13 -1.56 -0.21 0.00 0.82 0.00 0.00 66.70 65.88 1iyt h VAL 36 Cb 0.10 1.49 0.02 0.00 -1.52 0.00 0.00 31.29 31.38 1iyt h VAL 36 CO -0.02 0.52 -0.81 1.23 0.02 0.00 0.00 177.57 178.51 1iyt h GLY 37 N 0.66 0.63 1.27 2.17 0.00 -0.57 -3.32 103.07 103.90 1iyt h GLY 37 Ca 0.05 -1.09 -0.26 0.00 0.00 0.00 0.00 47.33 46.03 1iyt h GLY 37 CO 0.09 0.97 -1.02 -1.33 0.00 0.00 0.00 176.54 175.25 1iyt h GLY 38 N 0.16 0.73 2.00 4.60 0.00 -0.41 -3.26 103.07 106.90 1iyt h GLY 38 Ca -0.10 -1.28 0.00 0.00 0.00 0.00 0.00 47.33 45.95 1iyt h GLY 38 CO 0.16 1.13 0.00 1.55 0.00 0.00 0.00 176.54 179.38 1iyt n VAL 39 N -3.84 1.01 -0.34 4.60 3.14 -1.05 -1.07 118.33 120.79 1iyt n VAL 39 Ca -0.10 0.38 0.17 0.00 -2.96 0.00 0.00 64.34 61.83 1iyt n VAL 39 Cb 0.87 -1.30 0.38 0.00 -1.06 0.00 0.00 33.84 32.73 1iyt n VAL 39 CO 0.00 0.00 0.00 0.58 -6.46 0.00 0.00 176.83 170.95 1iyt h VAL 40 N 0.00 0.51 -1.48 1.55 2.07 -1.66 -3.42 116.25 113.83 1iyt h VAL 40 Ca 0.00 -0.19 -0.51 0.00 0.82 0.00 0.00 66.70 66.82 1iyt h VAL 40 Cb 0.23 -0.07 -0.04 0.00 -1.52 0.00 0.00 31.29 29.88 1iyt h VAL 40 CO 0.00 0.10 -0.40 -0.63 0.02 0.00 0.00 177.57 176.66 1iyt s ILE 41 N -5.79 2.53 0.00 4.57 1.09 -0.23 -5.18 121.20 118.19 1iyt s ILE 41 Ca -0.11 -1.42 0.00 0.00 -1.10 0.00 0.00 60.65 58.02 1iyt s ILE 41 Cb 0.27 -2.95 0.00 0.00 -1.06 0.00 0.00 42.46 38.72 1iyt s ILE 41 CO 0.79 0.00 0.00 0.00 -0.10 0.00 0.00 174.94 175.63