#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 1.37 -1.00 2.24 0.00 -1.26 -5.01 120.51 116.84 1iyt n ALA 2 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 1iyt n ALA 2 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 1iyt n ALA 2 CO 0.00 0.00 0.00 -0.85 0.00 0.00 0.00 177.50 176.65 1iyt n GLU 3 N -2.18 0.00 0.08 0.00 0.28 -1.26 -4.78 120.64 112.78 1iyt n GLU 3 Ca 0.00 -0.26 -0.10 0.00 -0.16 0.00 0.00 57.16 56.64 1iyt n GLU 3 Cb 0.00 -0.50 -0.02 0.00 1.43 0.00 0.00 31.44 32.35 1iyt n GLU 3 CO 0.00 0.00 0.00 0.74 -0.16 0.00 0.00 177.13 177.71 1iyt h PHE 4 N 0.00 0.39 0.16 -1.84 0.04 -2.04 -3.34 116.94 110.31 1iyt h PHE 4 Ca 0.00 -0.21 -0.01 0.00 2.80 0.00 0.00 57.97 60.55 1iyt h PHE 4 Cb 0.76 -0.04 0.00 0.00 2.20 0.00 0.00 35.95 38.86 1iyt h PHE 4 CO 0.00 1.03 -0.08 0.00 -0.60 0.00 0.00 178.31 178.66 1iyt h ARG 5 N 0.15 -0.21 -2.95 1.51 2.47 -1.99 -3.39 114.38 109.97 1iyt h ARG 5 Ca -0.05 0.01 -0.53 0.00 -1.26 0.00 0.00 59.98 58.15 1iyt h ARG 5 Cb 1.52 0.05 0.01 0.00 -1.65 0.00 0.00 29.97 29.90 1iyt h ARG 5 CO 0.14 0.08 2.95 0.72 0.56 0.00 0.00 179.97 184.43 1iyt n HIS 6 N -4.90 1.82 -0.08 3.04 8.25 -1.25 -4.23 115.22 117.87 1iyt n HIS 6 Ca -0.05 -2.59 -0.08 0.00 -0.26 0.00 0.00 57.72 54.74 1iyt n HIS 6 Cb 0.19 -2.17 -0.03 0.00 1.12 0.00 0.00 29.99 29.11 1iyt n HIS 6 CO 0.00 0.00 0.00 -3.47 0.64 0.00 0.00 176.34 173.51 1iyt n ASP 7 N 3.55 1.80 -0.05 0.41 2.03 -1.26 -4.16 116.55 118.85 1iyt n ASP 7 Ca 0.66 0.30 -0.07 0.00 0.52 0.00 0.00 54.79 56.19 1iyt n ASP 7 Cb 0.30 -0.70 -0.01 0.00 -0.72 0.00 0.00 41.12 39.99 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 -0.89 -0.45 0.32 1.67 4.64 -1.93 0.16 113.55 117.07 1iyt h SER 8 Ca 0.00 0.10 0.00 0.00 -0.47 0.00 0.00 61.79 61.42 1iyt h SER 8 Cb 0.89 0.24 0.00 0.00 -0.31 0.00 0.00 62.40 63.22 1iyt h SER 8 CO 0.00 -0.17 0.00 0.61 -0.87 0.00 0.00 176.83 176.40 1iyt n GLY 9 N -1.30 -1.04 0.08 -0.77 0.00 -1.26 -0.10 105.19 100.79 1iyt n GLY 9 Ca -0.01 0.15 -0.11 0.00 0.00 0.00 0.00 46.02 46.05 1iyt n GLY 9 CO 0.00 0.00 0.00 -1.82 0.00 0.00 0.00 173.32 171.50 1iyt h TYR 10 N 0.00 0.00 -0.02 1.61 3.20 -1.21 -3.40 116.97 117.16 1iyt h TYR 10 Ca 0.00 0.00 -0.02 0.00 3.14 0.00 0.00 58.73 61.85 1iyt h TYR 10 Cb 0.16 0.00 -0.00 0.00 1.54 0.00 0.00 36.73 38.43 1iyt h TYR 10 CO 0.00 0.69 -0.08 0.93 -1.64 0.00 0.00 178.16 178.06 1iyt h GLU 11 N -1.00 0.03 0.00 1.82 4.39 -0.32 -3.33 114.58 116.17 1iyt h GLU 11 Ca -0.12 -0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.58 1iyt h GLU 11 Cb 0.78 -0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.42 1iyt h GLU 11 CO -0.07 0.11 0.00 1.55 -1.16 0.00 0.00 179.01 179.44 1iyt n VAL 12 N -4.42 0.00 -0.36 3.13 3.14 0.86 -1.69 118.33 118.99 1iyt n VAL 12 Ca -0.02 0.97 0.00 0.00 -2.96 0.00 0.00 64.34 62.33 1iyt n VAL 12 Cb 0.17 -1.58 0.15 0.00 -1.06 0.00 0.00 33.84 31.52 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 1.21 -1.13 1.45 3.86 -1.85 0.55 115.15 119.24 1iyt h HIS 13 Ca 0.00 0.03 0.36 0.00 -1.16 0.00 0.00 60.37 59.60 1iyt h HIS 13 Cb 0.00 -0.40 -0.13 0.00 1.06 0.00 0.00 27.41 27.94 1iyt h HIS 13 CO 0.00 0.71 0.69 0.45 0.86 0.00 0.00 177.93 180.64 1iyt h HIS 14 N 1.26 0.72 0.00 2.45 -0.00 -1.62 0.27 115.15 118.22 1iyt h HIS 14 Ca 0.39 0.03 -0.31 0.00 -0.00 0.00 0.00 60.37 60.47 1iyt h HIS 14 Cb -0.02 -0.19 -0.05 0.00 -0.00 0.00 0.00 27.41 27.15 1iyt h HIS 14 CO -0.00 -0.15 -1.95 0.94 -0.00 0.00 0.00 177.93 176.77 1iyt n GLN 15 N -4.84 0.57 -0.35 2.45 7.27 0.30 -4.28 117.38 118.50 1iyt n GLN 15 Ca 0.33 0.30 0.32 0.00 0.07 0.00 0.00 57.00 58.02 1iyt n GLN 15 Cb 1.14 -1.52 0.55 0.00 2.41 0.00 0.00 30.24 32.82 1iyt n GLN 15 CO 0.00 0.00 0.00 1.17 0.07 0.00 0.00 177.06 178.30 1iyt n LYS 16 N -4.34 -0.04 0.04 3.69 3.00 0.17 -0.26 118.16 120.42 1iyt n LYS 16 Ca -0.41 1.11 -0.13 0.00 -0.00 0.00 0.00 58.31 58.89 1iyt n LYS 16 Cb 0.75 -2.11 -0.09 0.00 0.00 0.00 0.00 35.03 33.58 1iyt n LYS 16 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.40 177.33 1iyt h LEU 17 N 0.00 -0.08 0.49 3.14 3.38 -0.66 0.16 115.31 121.74 1iyt h LEU 17 Ca 0.74 -0.26 -0.02 0.00 0.09 0.00 0.00 57.88 58.43 1iyt h LEU 17 Cb 2.22 0.02 0.00 0.00 0.09 0.00 0.00 40.66 43.00 1iyt h LEU 17 CO -0.50 0.22 -0.24 0.58 0.09 0.00 0.00 178.44 178.59 1iyt h VAL 18 N -0.38 0.51 -0.15 1.22 2.07 -0.95 -1.29 116.25 117.28 1iyt h VAL 18 Ca -0.01 -0.11 0.05 0.00 0.82 0.00 0.00 66.70 67.45 1iyt h VAL 18 Cb 0.33 0.56 -0.06 0.00 -1.52 0.00 0.00 31.29 30.60 1iyt h VAL 18 CO 0.02 0.02 -0.23 0.15 0.02 0.00 0.00 177.57 177.54 1iyt h PHE 19 N -0.72 -0.62 -0.23 1.57 3.57 -0.59 0.25 116.94 120.17 1iyt h PHE 19 Ca -0.07 0.03 -0.01 0.00 3.53 0.00 0.00 57.97 61.45 1iyt h PHE 19 Cb 0.53 0.30 -0.01 0.00 2.79 0.00 0.00 35.95 39.56 1iyt h PHE 19 CO -0.03 -0.32 0.10 0.35 -2.23 0.00 0.00 178.31 176.19 1iyt h PHE 20 N -0.29 0.35 -0.79 0.41 3.57 -0.68 0.90 116.94 120.40 1iyt h PHE 20 Ca 0.11 -0.02 0.03 0.00 3.53 0.00 0.00 57.97 61.61 1iyt h PHE 20 Cb 0.45 -0.10 -0.04 0.00 2.79 0.00 0.00 35.95 39.04 1iyt h PHE 20 CO -0.35 0.36 0.52 0.00 -2.23 0.00 0.00 178.31 176.62 1iyt h ALA 21 N 0.95 1.49 0.30 2.41 0.00 -0.85 0.63 119.26 124.18 1iyt h ALA 21 Ca 0.08 -0.04 -0.01 0.00 0.00 0.00 0.00 54.91 54.93 1iyt h ALA 21 Cb 0.16 -0.29 -0.00 0.00 0.00 0.00 0.00 17.79 17.65 1iyt h ALA 21 CO -0.01 0.44 -0.18 0.93 0.00 0.00 0.00 179.25 180.44 1iyt h GLU 22 N 1.01 -0.44 -0.42 0.00 4.39 -0.00 0.46 114.58 119.58 1iyt h GLU 22 Ca 0.31 0.03 0.07 0.00 0.34 0.00 0.00 59.36 60.11 1iyt h GLU 22 Cb -0.02 0.10 -0.06 0.00 -0.10 0.00 0.00 28.75 28.67 1iyt h GLU 22 CO -0.08 -0.29 0.05 0.22 -1.16 0.00 0.00 179.01 177.75 1iyt h ASP 23 N -0.45 -0.06 -0.02 1.42 1.82 0.20 0.14 116.42 119.46 1iyt h ASP 23 Ca -0.03 0.08 -0.00 0.00 -0.39 0.00 0.00 57.03 56.69 1iyt h ASP 23 Cb 0.37 0.13 -0.00 0.00 0.68 0.00 0.00 39.33 40.51 1iyt h ASP 23 CO 0.03 0.00 -0.00 0.58 -1.61 0.00 0.00 179.24 178.25 1iyt h VAL 24 N 0.17 1.26 0.18 2.25 2.07 -0.89 -3.22 116.25 118.06 1iyt h VAL 24 Ca 0.21 -0.78 0.01 0.00 0.82 0.00 0.00 66.70 66.96 1iyt h VAL 24 Cb 0.27 1.74 -0.02 0.00 -1.52 0.00 0.00 31.29 31.76 1iyt h VAL 24 CO -0.30 0.21 -0.22 1.23 0.02 0.00 0.00 177.57 178.51 1iyt h GLY 25 N -0.27 -0.45 -2.14 2.17 0.00 0.64 0.15 103.07 103.17 1iyt h GLY 25 Ca 0.01 0.25 -0.03 0.00 0.00 0.00 0.00 47.33 47.55 1iyt h GLY 25 CO 0.00 -0.20 0.04 1.44 0.00 0.00 0.00 176.54 177.82 1iyt n SER 26 N -5.34 3.07 -1.47 0.19 7.64 0.41 -3.01 113.62 115.12 1iyt n SER 26 Ca -0.08 -2.11 -0.04 0.00 1.01 0.00 0.00 58.87 57.66 1iyt n SER 26 Cb 0.25 -0.53 -0.01 0.00 -1.01 0.00 0.00 64.21 62.91 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 0.41 -0.73 -0.34 6.43 5.15 -0.02 -4.95 115.26 121.20 1iyt n ASN 27 Ca 0.04 -2.04 0.01 0.00 -0.60 0.00 0.00 54.58 51.99 1iyt n ASN 27 Cb 0.57 0.27 0.18 0.00 -0.53 0.00 0.00 39.78 40.27 1iyt n ASN 27 CO 0.00 0.00 0.00 0.11 1.40 0.00 0.00 177.26 178.77 1iyt h LYS 28 N 0.43 1.15 -1.29 1.20 1.57 -1.29 0.11 116.57 118.44 1iyt h LYS 28 Ca -0.48 -0.07 0.37 0.00 -1.87 0.00 0.00 60.65 58.60 1iyt h LYS 28 Cb 1.45 -0.26 -0.07 0.00 0.08 0.00 0.00 32.23 33.43 1iyt h LYS 28 CO -0.20 0.76 0.91 0.78 -0.57 0.00 0.00 179.45 181.13 1iyt h GLY 29 N 1.18 0.35 0.00 3.86 0.00 -1.89 0.40 103.07 106.97 1iyt h GLY 29 Ca 0.39 -0.05 -0.20 0.00 0.00 0.00 0.00 47.33 47.47 1iyt h GLY 29 CO -0.13 -0.07 -1.38 0.00 0.00 0.00 0.00 176.54 174.96 1iyt n ALA 30 N -2.72 0.83 0.23 3.60 0.00 0.16 -4.42 120.51 118.20 1iyt n ALA 30 Ca 0.30 -0.70 0.04 0.00 0.00 0.00 0.00 53.44 53.08 1iyt n ALA 30 Cb 1.32 -0.13 0.18 0.00 0.00 0.00 0.00 19.45 20.82 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 -4.43 1.49 -0.19 0.00 -0.00 -0.05 -3.02 119.36 113.16 1iyt n ILE 31 Ca -0.29 0.40 0.16 0.00 -0.00 0.00 0.00 62.75 63.02 1iyt n ILE 31 Cb 0.61 -1.29 0.30 0.00 -0.00 0.00 0.00 39.64 39.26 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 -1.57 -0.24 -0.15 1.39 5.41 0.14 0.02 119.36 124.35 1iyt n ILE 32 Ca 0.01 1.19 -0.06 0.00 1.00 0.00 0.00 62.75 64.90 1iyt n ILE 32 Cb 0.08 -1.89 0.00 0.00 -0.71 0.00 0.00 39.64 37.13 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 -0.09 1.06 7.39 0.00 -1.83 0.18 103.07 109.77 1iyt h GLY 33 Ca 0.46 0.38 -0.11 0.00 0.00 0.00 0.00 47.33 48.05 1iyt h GLY 33 CO -0.47 -0.21 -0.16 0.17 0.00 0.00 0.00 176.54 175.87 1iyt h LEU 34 N -0.19 0.94 -0.17 3.11 8.10 -0.71 0.93 115.31 127.32 1iyt h LEU 34 Ca 0.21 -0.38 0.04 0.00 0.11 0.00 0.00 57.88 57.86 1iyt h LEU 34 Cb 0.52 -0.26 -0.05 0.00 -0.44 0.00 0.00 40.66 40.44 1iyt h LEU 34 CO -0.59 1.11 -0.12 -0.03 -4.11 0.00 0.00 178.44 174.70 1iyt h MET 35 N 0.76 -0.11 -0.40 0.17 4.05 -0.90 0.47 114.93 118.96 1iyt h MET 35 Ca 0.11 0.01 -0.03 0.00 -0.28 0.00 0.00 59.70 59.51 1iyt h MET 35 Cb 0.72 0.03 -0.02 0.00 -0.80 0.00 0.00 31.60 31.53 1iyt h MET 35 CO 0.06 -0.08 0.13 0.28 0.23 0.00 0.00 176.91 177.53 1iyt h VAL 36 N -0.12 1.22 -0.13 -5.77 2.07 -0.59 -1.25 116.25 111.68 1iyt h VAL 36 Ca 0.10 -0.71 0.04 0.00 0.82 0.00 0.00 66.70 66.95 1iyt h VAL 36 Cb 0.27 0.92 -0.01 0.00 -1.52 0.00 0.00 31.29 30.95 1iyt h VAL 36 CO -0.24 0.25 0.11 1.23 0.02 0.00 0.00 177.57 178.94 1iyt h GLY 37 N 0.51 0.00 0.75 2.17 0.00 0.27 0.52 103.07 107.28 1iyt h GLY 37 Ca 0.13 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.46 1iyt h GLY 37 CO -0.00 0.00 -1.04 0.61 0.00 0.00 0.00 176.54 176.11 1iyt n GLY 38 N -1.48 -1.30 0.12 4.60 0.00 0.15 -4.15 105.19 103.14 1iyt n GLY 38 Ca 0.00 -0.34 -0.18 0.00 0.00 0.00 0.00 46.02 45.50 1iyt n GLY 38 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 1iyt h VAL 39 N 0.00 1.43 -1.01 1.61 2.07 0.28 -3.34 116.25 117.29 1iyt h VAL 39 Ca 0.00 -2.92 0.03 0.00 0.82 0.00 0.00 66.70 64.63 1iyt h VAL 39 Cb 0.83 2.93 -0.06 0.00 -1.52 0.00 0.00 31.29 33.47 1iyt h VAL 39 CO 0.00 0.86 0.66 1.62 0.02 0.00 0.00 177.57 180.73 1iyt h VAL 40 N 0.11 1.20 -1.49 2.57 3.04 -1.49 -3.42 116.25 116.78 1iyt h VAL 40 Ca -0.16 -0.45 -0.47 0.00 -1.01 0.00 0.00 66.70 64.61 1iyt h VAL 40 Cb 1.99 -0.22 0.05 0.00 -2.01 0.00 0.00 31.29 31.10 1iyt h VAL 40 CO 0.22 0.24 -0.03 -0.63 -1.01 0.00 0.00 177.57 176.36 1iyt s ILE 41 N -6.09 2.26 0.00 3.17 1.09 -1.25 -5.16 121.20 115.21 1iyt s ILE 41 Ca -0.13 -0.82 0.00 0.00 -1.10 0.00 0.00 60.65 58.60 1iyt s ILE 41 Cb 0.19 -2.43 0.00 0.00 -1.06 0.00 0.00 42.46 39.15 1iyt s ILE 41 CO 0.82 0.00 0.00 0.00 -0.10 0.00 0.00 174.94 175.66