#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 -3.29 -1.67 0.00 -1.26 -5.03 120.51 109.26 1iyt n ALA 2 Ca 0.00 0.00 -0.12 0.00 0.00 0.00 0.00 53.44 53.32 1iyt n ALA 2 Cb 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 19.45 19.44 1iyt n ALA 2 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 177.50 175.67 1iyt s GLU 3 N 0.00 2.06 0.00 0.00 -1.05 -1.26 -4.64 118.70 113.81 1iyt s GLU 3 Ca 0.00 -1.63 0.00 0.00 -0.15 0.00 0.00 54.97 53.19 1iyt s GLU 3 Cb 0.00 0.52 0.00 0.00 -0.44 0.00 0.00 34.13 34.21 1iyt s GLU 3 CO 0.00 -0.91 0.00 0.34 0.95 0.00 0.00 175.26 175.64 1iyt n PHE 4 N -0.56 0.00 0.01 4.83 7.35 -1.26 -3.77 117.46 124.06 1iyt n PHE 4 Ca -0.03 0.00 0.00 0.00 -0.76 0.00 0.00 57.45 56.66 1iyt n PHE 4 Cb 0.61 -0.14 0.00 0.00 0.35 0.00 0.00 39.48 40.29 1iyt n PHE 4 CO 0.00 0.00 0.00 0.54 -0.76 0.00 0.00 176.76 176.54 1iyt n ARG 5 N -0.76 0.00 -1.30 -4.13 1.74 -1.26 -4.63 116.66 106.32 1iyt n ARG 5 Ca 0.00 0.00 -0.37 0.00 -0.77 0.00 0.00 57.85 56.71 1iyt n ARG 5 Cb 0.00 -0.44 -0.02 0.00 -1.02 0.00 0.00 32.46 30.98 1iyt n ARG 5 CO 0.00 0.00 0.00 0.72 -1.52 0.00 0.00 177.63 176.83 1iyt n HIS 6 N -3.05 2.45 0.06 -1.55 8.25 -1.25 -2.24 115.22 117.89 1iyt n HIS 6 Ca 0.00 -2.83 0.00 0.00 -0.26 0.00 0.00 57.72 54.63 1iyt n HIS 6 Cb 0.35 -2.34 0.00 0.00 1.12 0.00 0.00 29.99 29.12 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 4.39 -1.01 -0.17 0.41 2.03 -1.26 -4.35 116.55 116.59 1iyt n ASP 7 Ca 0.67 0.40 -0.03 0.00 0.52 0.00 0.00 54.79 56.34 1iyt n ASP 7 Cb 0.26 1.19 0.03 0.00 -0.72 0.00 0.00 41.12 41.88 1iyt n ASP 7 CO 0.00 0.00 0.00 0.28 -1.92 0.00 0.00 177.20 175.56 1iyt h SER 8 N 0.00 -0.71 0.71 1.67 0.02 -1.78 0.26 113.55 113.72 1iyt h SER 8 Ca 0.00 0.18 0.00 0.00 -0.84 0.00 0.00 61.79 61.13 1iyt h SER 8 Cb 0.00 0.41 0.00 0.00 0.14 0.00 0.00 62.40 62.95 1iyt h SER 8 CO 0.00 -0.23 0.00 0.61 -1.14 0.00 0.00 176.83 176.07 1iyt n GLY 9 N -1.41 -1.20 0.09 -3.77 0.00 -0.95 -0.44 105.19 97.50 1iyt n GLY 9 Ca 0.05 -0.01 -0.18 0.00 0.00 0.00 0.00 46.02 45.88 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 0.04 0.00 1.61 3.20 -1.36 -3.39 116.97 117.06 1iyt h TYR 10 Ca 0.00 -0.03 0.00 0.00 3.14 0.00 0.00 58.73 61.84 1iyt h TYR 10 Cb 0.35 -0.00 0.00 0.00 1.54 0.00 0.00 36.73 38.62 1iyt h TYR 10 CO 0.00 1.23 0.00 0.39 -1.64 0.00 0.00 178.16 178.14 1iyt n GLU 11 N -4.49 0.18 0.00 1.82 -0.58 0.76 -3.99 120.64 114.33 1iyt n GLU 11 Ca -0.20 0.34 0.00 0.00 -0.42 0.00 0.00 57.16 56.89 1iyt n GLU 11 Cb 0.59 -1.80 0.00 0.00 -0.57 0.00 0.00 31.44 29.66 1iyt n GLU 11 CO 0.00 0.00 0.00 1.55 -0.48 0.00 0.00 177.13 178.20 1iyt n VAL 12 N -2.13 0.00 -0.27 2.62 3.14 0.41 -2.74 118.33 119.35 1iyt n VAL 12 Ca 0.03 0.53 0.08 0.00 -2.96 0.00 0.00 64.34 62.02 1iyt n VAL 12 Cb 0.27 -1.27 0.22 0.00 -1.06 0.00 0.00 33.84 32.00 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 0.51 -0.78 1.45 3.86 -1.86 0.68 115.15 119.01 1iyt h HIS 13 Ca 0.00 0.04 0.15 0.00 -1.16 0.00 0.00 60.37 59.40 1iyt h HIS 13 Cb 0.00 -0.10 -0.15 0.00 1.06 0.00 0.00 27.41 28.22 1iyt h HIS 13 CO 0.00 -0.00 -0.20 0.72 0.86 0.00 0.00 177.93 179.30 1iyt n HIS 14 N -5.05 0.26 -0.00 2.45 -0.00 -1.25 -0.21 115.22 111.42 1iyt n HIS 14 Ca 0.17 0.95 0.06 0.00 -0.00 0.00 0.00 57.72 58.90 1iyt n HIS 14 Cb 0.50 -0.94 -0.09 0.00 -0.00 0.00 0.00 29.99 29.46 1iyt n HIS 14 CO 0.00 0.00 0.00 0.94 -0.00 0.00 0.00 176.34 177.28 1iyt n GLN 15 N -5.26 0.36 -0.06 -0.41 0.00 0.85 -4.20 117.38 108.67 1iyt n GLN 15 Ca 0.12 -0.11 -0.01 0.00 -0.00 0.00 0.00 57.00 57.00 1iyt n GLN 15 Cb 0.38 -1.28 0.25 0.00 0.00 0.00 0.00 30.24 29.59 1iyt n GLN 15 CO 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 177.06 176.84 1iyt h LYS 16 N 0.00 0.68 0.07 3.69 1.63 0.55 0.15 116.57 123.34 1iyt h LYS 16 Ca 0.00 -0.13 -0.00 0.00 -0.85 0.00 0.00 60.65 59.66 1iyt h LYS 16 Cb 0.54 -0.10 0.00 0.00 -0.60 0.00 0.00 32.23 32.07 1iyt h LYS 16 CO 0.00 0.64 -0.03 -0.07 -3.45 0.00 0.00 179.45 176.53 1iyt h LEU 17 N 0.65 -0.08 0.78 5.20 3.38 -0.77 0.17 115.31 124.64 1iyt h LEU 17 Ca 0.14 -0.21 -0.03 0.00 0.09 0.00 0.00 57.88 57.87 1iyt h LEU 17 Cb 0.29 0.02 -0.00 0.00 0.09 0.00 0.00 40.66 41.06 1iyt h LEU 17 CO 0.00 0.17 -0.46 0.58 0.09 0.00 0.00 178.44 178.82 1iyt h VAL 18 N -0.33 0.07 -0.41 1.22 2.07 -1.70 -1.78 116.25 115.40 1iyt h VAL 18 Ca -0.01 0.00 0.08 0.00 0.82 0.00 0.00 66.70 67.59 1iyt h VAL 18 Cb 0.29 0.07 -0.08 0.00 -1.52 0.00 0.00 31.29 30.05 1iyt h VAL 18 CO 0.02 0.00 -0.10 0.15 0.02 0.00 0.00 177.57 177.65 1iyt h PHE 19 N -1.16 -0.22 0.10 1.57 3.57 -0.60 0.92 116.94 121.13 1iyt h PHE 19 Ca -0.10 0.04 -0.01 0.00 3.53 0.00 0.00 57.97 61.43 1iyt h PHE 19 Cb 0.92 0.16 0.00 0.00 2.79 0.00 0.00 35.95 39.82 1iyt h PHE 19 CO -0.09 -0.18 -0.05 0.35 -2.23 0.00 0.00 178.31 176.11 1iyt h PHE 20 N -0.00 -0.13 -0.67 0.41 3.04 -0.65 0.25 116.94 119.19 1iyt h PHE 20 Ca 0.20 -0.00 0.10 0.00 3.98 0.00 0.00 57.97 62.24 1iyt h PHE 20 Cb 0.30 0.04 -0.08 0.00 2.56 0.00 0.00 35.95 38.78 1iyt h PHE 20 CO -0.36 0.01 0.29 0.00 -2.02 0.00 0.00 178.31 176.22 1iyt h ALA 21 N 0.66 0.91 -0.14 2.41 0.00 -0.86 0.73 119.26 122.96 1iyt h ALA 21 Ca -0.01 0.08 -0.00 0.00 0.00 0.00 0.00 54.91 54.97 1iyt h ALA 21 Cb 0.19 0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.00 1iyt h ALA 21 CO 0.02 -0.14 0.08 0.93 0.00 0.00 0.00 179.25 180.14 1iyt h GLU 22 N 0.49 0.19 0.08 0.00 4.39 -0.43 0.26 114.58 119.56 1iyt h GLU 22 Ca 0.34 -0.02 0.02 0.00 0.34 0.00 0.00 59.36 60.04 1iyt h GLU 22 Cb 0.42 -0.04 -0.03 0.00 -0.10 0.00 0.00 28.75 29.00 1iyt h GLU 22 CO -0.31 0.17 -0.22 0.22 -1.16 0.00 0.00 179.01 177.71 1iyt h ASP 23 N 0.16 -0.62 0.12 1.42 1.82 0.33 0.14 116.42 119.79 1iyt h ASP 23 Ca 0.05 0.08 -0.00 0.00 -0.39 0.00 0.00 57.03 56.76 1iyt h ASP 23 Cb 0.03 0.24 -0.00 0.00 0.68 0.00 0.00 39.33 40.28 1iyt h ASP 23 CO -0.01 -0.30 -0.08 0.58 -1.61 0.00 0.00 179.24 177.83 1iyt h VAL 24 N -0.39 0.84 -0.20 2.25 2.07 -0.83 -2.77 116.25 117.21 1iyt h VAL 24 Ca 0.04 0.00 0.05 0.00 0.82 0.00 0.00 66.70 67.60 1iyt h VAL 24 Cb 0.43 0.84 -0.05 0.00 -1.52 0.00 0.00 31.29 30.99 1iyt h VAL 24 CO -0.14 0.00 -0.10 1.23 0.02 0.00 0.00 177.57 178.58 1iyt h GLY 25 N -0.19 0.08 -2.69 2.17 0.00 -0.11 -0.28 103.07 102.05 1iyt h GLY 25 Ca -0.01 0.12 -0.18 0.00 0.00 0.00 0.00 47.33 47.27 1iyt h GLY 25 CO 0.01 -0.12 0.23 1.44 0.00 0.00 0.00 176.54 178.10 1iyt n SER 26 N -5.26 3.26 -1.66 0.19 7.64 0.47 -3.62 113.62 114.64 1iyt n SER 26 Ca -0.02 -2.55 -0.05 0.00 1.01 0.00 0.00 58.87 57.26 1iyt n SER 26 Cb 0.18 -0.62 0.01 0.00 -1.01 0.00 0.00 64.21 62.77 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 -0.07 -1.17 -0.24 6.43 5.15 -0.18 -4.97 115.26 120.21 1iyt n ASN 27 Ca 0.21 -2.06 -0.01 0.00 -0.60 0.00 0.00 54.58 52.11 1iyt n ASN 27 Cb 0.91 0.45 0.11 0.00 -0.53 0.00 0.00 39.78 40.71 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 0.40 0.67 -1.51 1.20 1.57 -1.45 0.93 116.57 118.38 1iyt h LYS 28 Ca -0.51 -0.04 0.46 0.00 -1.87 0.00 0.00 60.65 58.68 1iyt h LYS 28 Cb 1.36 -0.15 -0.10 0.00 0.08 0.00 0.00 32.23 33.42 1iyt h LYS 28 CO -0.25 0.45 1.04 0.78 -0.57 0.00 0.00 179.45 180.90 1iyt h GLY 29 N 0.69 0.62 0.07 3.86 0.00 -1.91 0.46 103.07 106.86 1iyt h GLY 29 Ca 0.31 -0.06 -0.34 0.00 0.00 0.00 0.00 47.33 47.24 1iyt h GLY 29 CO -0.19 -0.18 -1.89 0.00 0.00 0.00 0.00 176.54 174.28 1iyt n ALA 30 N -2.70 0.99 0.43 3.60 0.00 0.18 -4.31 120.51 118.69 1iyt n ALA 30 Ca 0.37 -0.76 0.06 0.00 0.00 0.00 0.00 53.44 53.11 1iyt n ALA 30 Cb 1.57 -0.30 0.26 0.00 0.00 0.00 0.00 19.45 20.98 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 -4.17 1.13 -0.90 0.00 -0.00 -0.38 -4.83 119.36 110.21 1iyt n ILE 31 Ca -0.41 0.28 -0.34 0.00 -0.00 0.00 0.00 62.75 62.28 1iyt n ILE 31 Cb 0.82 -1.07 0.08 0.00 -0.00 0.00 0.00 39.64 39.47 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 -1.49 0.07 0.00 1.39 5.41 0.15 -3.26 119.36 121.63 1iyt n ILE 32 Ca 0.03 -0.33 0.00 0.00 1.00 0.00 0.00 62.75 63.45 1iyt n ILE 32 Cb 0.14 -0.36 0.00 0.00 -0.71 0.00 0.00 39.64 38.71 1iyt n ILE 32 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 1iyt n GLY 33 N 2.34 1.66 0.28 7.39 0.00 -1.26 -4.49 105.19 111.10 1iyt n GLY 33 Ca 0.03 -0.46 0.12 0.00 0.00 0.00 0.00 46.02 45.72 1iyt n GLY 33 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 1iyt h LEU 34 N 0.00 0.00 -1.52 0.99 3.38 -1.96 0.23 115.31 116.44 1iyt h LEU 34 Ca 0.00 0.00 -0.05 0.00 0.09 0.00 0.00 57.88 57.92 1iyt h LEU 34 Cb 0.00 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.74 1iyt h LEU 34 CO 0.00 0.04 -0.24 -0.03 0.09 0.00 0.00 178.44 178.30 1iyt h MET 35 N 0.00 0.00 0.00 1.13 4.05 -1.77 0.44 114.93 118.78 1iyt h MET 35 Ca -0.00 0.00 -0.25 0.00 -0.28 0.00 0.00 59.70 59.16 1iyt h MET 35 Cb 0.08 0.00 -0.04 0.00 -0.80 0.00 0.00 31.60 30.84 1iyt h MET 35 CO 0.00 0.24 -1.39 0.28 0.23 0.00 0.00 176.91 176.27 1iyt n VAL 36 N -3.82 1.54 0.20 -5.77 0.31 0.25 -3.83 118.33 107.22 1iyt n VAL 36 Ca -0.02 -0.07 0.09 0.00 -0.01 0.00 0.00 64.34 64.33 1iyt n VAL 36 Cb 0.33 -2.02 0.32 0.00 -0.91 0.00 0.00 33.84 31.57 1iyt n VAL 36 CO 0.00 0.00 0.00 1.23 -1.32 0.00 0.00 176.83 176.74 1iyt h GLY 37 N -0.93 0.00 0.41 2.92 0.00 -0.60 -2.42 103.07 102.44 1iyt h GLY 37 Ca -0.38 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.95 1iyt h GLY 37 CO -0.22 0.00 -0.93 0.61 0.00 0.00 0.00 176.54 176.00 1iyt n GLY 38 N 0.55 -1.12 2.40 4.60 0.00 0.16 -4.36 105.19 107.41 1iyt n GLY 38 Ca 0.01 -0.48 -0.14 0.00 0.00 0.00 0.00 46.02 45.41 1iyt n GLY 38 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 1iyt n VAL 39 N -1.65 1.96 -0.00 1.61 0.31 -1.04 -4.88 118.33 114.63 1iyt n VAL 39 Ca 0.03 -3.67 -0.10 0.00 -0.01 0.00 0.00 64.34 60.60 1iyt n VAL 39 Cb 0.37 -0.07 -0.04 0.00 -0.91 0.00 0.00 33.84 33.19 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 3.65 0.78 -2.08 2.52 2.07 -1.64 -3.42 116.25 118.12 1iyt h VAL 40 Ca 0.14 0.00 -0.53 0.00 0.82 0.00 0.00 66.70 67.13 1iyt h VAL 40 Cb 1.40 0.78 -0.07 0.00 -1.52 0.00 0.00 31.29 31.88 1iyt h VAL 40 CO 0.51 0.00 -0.56 -0.63 0.02 0.00 0.00 177.57 176.92 1iyt s ILE 41 N -6.18 3.67 0.00 4.57 1.09 -1.26 -5.10 121.20 117.99 1iyt s ILE 41 Ca -0.14 -1.64 0.00 0.00 -1.10 0.00 0.00 60.65 57.78 1iyt s ILE 41 Cb 0.09 -3.09 0.00 0.00 -1.06 0.00 0.00 42.46 38.40 1iyt s ILE 41 CO 0.68 -0.30 0.00 0.00 -0.10 0.00 0.00 174.94 175.22