#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1m56 s HIS 11 N 0.00 3.89 -0.41 1.61 0.09 -1.26 -4.91 115.29 114.31 1m56 s HIS 11 Ca 0.00 1.72 0.04 0.00 -0.00 0.00 0.00 55.06 56.82 1m56 s HIS 11 Cb 0.00 -2.88 0.30 0.00 -0.00 0.00 0.00 32.58 30.00 1m56 s HIS 11 CO 0.00 0.42 1.17 0.28 -0.00 0.00 0.00 174.74 176.61 1m56 n VAL 12 N 1.92 0.00 -1.76 -0.90 0.31 -1.26 -5.12 118.33 111.51 1m56 n VAL 12 Ca -0.03 -1.15 -0.42 0.00 -0.01 0.00 0.00 64.34 62.73 1m56 n VAL 12 Cb 0.48 1.33 -0.02 0.00 -0.91 0.00 0.00 33.84 34.72 1m56 n VAL 12 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1m56 s ALA 13 N 0.27 3.83 0.00 3.52 0.00 -1.26 -3.05 121.76 125.07 1m56 s ALA 13 Ca 0.24 1.57 0.00 0.00 0.00 0.00 0.00 51.96 53.78 1m56 s ALA 13 Cb 0.27 -3.67 0.00 0.00 0.00 0.00 0.00 23.12 19.72 1m56 s ALA 13 CO -0.14 -0.95 0.00 0.41 0.00 0.00 0.00 175.76 175.08 1m56 n GLY 14 N 2.93 3.35 1.06 0.00 0.00 -1.26 -4.95 105.19 106.33 1m56 n GLY 14 Ca 0.11 0.00 0.05 0.00 0.00 0.00 0.00 46.02 46.18 1m56 n GLY 14 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1m56 n SER 15 N 0.02 3.04 -4.85 1.61 2.88 -1.17 -4.91 113.62 110.24 1m56 n SER 15 Ca 0.00 -2.31 -0.32 0.00 -1.33 0.00 0.00 58.87 54.91 1m56 n SER 15 Cb 0.00 -0.47 -0.03 0.00 -0.75 0.00 0.00 64.21 62.96 1m56 n SER 15 CO 0.00 0.00 0.00 -0.32 -1.23 0.00 0.00 175.04 173.49 1m56 s MET 16 N -1.76 3.93 -0.15 -1.46 0.00 -1.26 -5.02 119.30 113.57 1m56 s MET 16 Ca 0.29 0.91 -0.29 0.00 0.00 0.00 0.00 55.69 56.60 1m56 s MET 16 Cb 0.19 -2.15 -0.01 0.00 0.00 0.00 0.00 34.83 32.86 1m56 s MET 16 CO 0.13 -0.26 1.00 0.34 0.00 0.00 0.00 175.02 176.23 1m56 s ASP 17 N -3.11 7.17 -0.12 1.11 -1.08 -1.26 -4.92 116.67 114.46 1m56 s ASP 17 Ca 0.58 1.45 0.16 0.00 -0.52 0.00 0.00 52.55 54.22 1m56 s ASP 17 Cb -0.10 -2.54 0.33 0.00 -1.46 0.00 0.00 42.92 39.15 1m56 s ASP 17 CO 0.32 -0.51 1.22 -0.38 0.52 0.00 0.00 175.17 176.34 1m56 n ILE 18 N 4.80 1.85 -0.11 4.11 5.41 -1.26 -4.78 119.36 129.38 1m56 n ILE 18 Ca 0.09 -1.93 -0.05 0.00 1.00 0.00 0.00 62.75 61.86 1m56 n ILE 18 Cb 0.48 -0.11 0.01 0.00 -0.71 0.00 0.00 39.64 39.31 1m56 n ILE 18 CO 0.00 0.00 0.00 0.74 0.00 0.00 0.00 176.55 177.29 1m56 h THR 19 N 0.66 0.45 -0.09 1.39 2.02 -2.00 -1.60 112.91 113.75 1m56 h THR 19 Ca 0.00 0.00 0.01 0.00 0.77 0.00 0.00 66.41 67.19 1m56 h THR 19 Cb 1.06 0.45 -0.01 0.00 -1.74 0.00 0.00 68.15 67.91 1m56 h THR 19 CO 0.07 0.00 0.04 1.56 0.37 0.00 0.00 175.52 177.56 1m56 h GLN 20 N -0.11 0.09 -0.42 6.66 1.08 -2.00 -1.47 115.11 118.94 1m56 h GLN 20 Ca 0.19 -0.01 0.04 0.00 -1.45 0.00 0.00 58.65 57.43 1m56 h GLN 20 Cb 0.40 -0.02 -0.04 0.00 -0.05 0.00 0.00 27.48 27.77 1m56 h GLN 20 CO -0.46 0.06 0.18 1.96 -0.95 0.00 0.00 178.83 179.62 1m56 h GLN 21 N 0.09 0.36 -0.70 1.46 7.50 -1.87 -0.20 115.11 121.75 1m56 h GLN 21 Ca 0.04 -0.02 0.07 0.00 0.50 0.00 0.00 58.65 59.23 1m56 h GLN 21 Cb 0.01 -0.08 -0.06 0.00 0.05 0.00 0.00 27.48 27.40 1m56 h GLN 21 CO -0.03 0.24 0.39 0.93 -1.50 0.00 0.00 178.83 178.87 1m56 h GLU 22 N 0.37 0.69 -0.42 1.46 5.08 -0.93 0.18 114.58 121.02 1m56 h GLU 22 Ca 0.19 -0.04 -0.03 0.00 -1.00 0.00 0.00 59.36 58.48 1m56 h GLU 22 Cb 0.13 -0.16 -0.02 0.00 0.50 0.00 0.00 28.75 29.21 1m56 h GLU 22 CO -0.16 0.46 0.16 -0.22 -1.00 0.00 0.00 179.01 178.24 1m56 h LYS 23 N 0.71 0.64 -0.47 2.33 3.64 -1.12 0.33 116.57 122.63 1m56 h LYS 23 Ca 0.32 -0.12 0.05 0.00 -1.27 0.00 0.00 60.65 59.62 1m56 h LYS 23 Cb 0.22 -0.10 -0.05 0.00 -0.41 0.00 0.00 32.23 31.89 1m56 h LYS 23 CO -0.20 0.61 0.21 1.15 -2.27 0.00 0.00 179.45 178.95 1m56 h THR 24 N 0.54 0.92 -0.37 1.00 2.02 -0.10 -2.13 112.91 114.79 1m56 h THR 24 Ca 0.14 -0.14 -0.06 0.00 0.77 0.00 0.00 66.41 67.11 1m56 h THR 24 Cb 0.22 0.47 -0.02 0.00 -1.74 0.00 0.00 68.15 67.08 1m56 h THR 24 CO -0.01 0.08 -0.03 0.15 0.37 0.00 0.00 175.52 176.07 1m56 h PHE 25 N 0.41 0.64 -0.68 3.16 3.57 0.15 -1.38 116.94 122.82 1m56 h PHE 25 Ca 0.21 -0.08 0.03 0.00 3.53 0.00 0.00 57.97 61.66 1m56 h PHE 25 Cb 0.16 -0.18 -0.04 0.00 2.79 0.00 0.00 35.95 38.68 1m56 h PHE 25 CO -0.12 0.64 0.43 0.00 -2.23 0.00 0.00 178.31 177.02 1m56 h ALA 26 N 1.40 0.88 0.07 2.41 0.00 -0.52 -0.83 119.26 122.67 1m56 h ALA 26 Ca 0.12 -0.02 -0.00 0.00 0.00 0.00 0.00 54.91 55.00 1m56 h ALA 26 Cb 0.41 -0.22 0.00 0.00 0.00 0.00 0.00 17.79 17.98 1m56 h ALA 26 CO 0.02 0.20 -0.03 0.78 0.00 0.00 0.00 179.25 180.22 1m56 h GLY 27 N 0.84 -0.10 -0.70 0.00 0.00 -0.87 -2.33 103.07 99.91 1m56 h GLY 27 Ca 0.27 0.04 0.09 0.00 0.00 0.00 0.00 47.33 47.73 1m56 h GLY 27 CO -0.10 -0.04 -0.50 -2.75 0.00 0.00 0.00 176.54 173.15 1m56 h PHE 28 N -0.55 -1.53 -0.43 5.60 3.57 -1.10 0.41 116.94 122.91 1m56 h PHE 28 Ca -0.01 0.10 0.09 0.00 3.53 0.00 0.00 57.97 61.68 1m56 h PHE 28 Cb 0.47 0.77 -0.08 0.00 2.79 0.00 0.00 35.95 39.89 1m56 h PHE 28 CO 0.07 -0.42 -0.13 0.28 -2.23 0.00 0.00 178.31 175.88 1m56 h VAL 29 N -0.16 0.52 0.07 1.41 2.07 -1.16 -1.25 116.25 117.75 1m56 h VAL 29 Ca 0.18 0.00 -0.00 0.00 0.82 0.00 0.00 66.70 67.69 1m56 h VAL 29 Cb 0.53 0.52 0.00 0.00 -1.52 0.00 0.00 31.29 30.82 1m56 h VAL 29 CO -0.79 0.00 -0.03 0.03 0.02 0.00 0.00 177.57 176.80 1m56 h ARG 30 N -0.04 -0.09 -0.92 1.57 3.08 -0.55 -2.87 114.38 114.58 1m56 h ARG 30 Ca 0.21 0.01 0.04 0.00 0.07 0.00 0.00 59.98 60.31 1m56 h ARG 30 Cb 0.35 0.02 -0.06 0.00 0.08 0.00 0.00 29.97 30.37 1m56 h ARG 30 CO -0.46 0.13 0.59 1.98 -1.07 0.00 0.00 179.97 181.14 1m56 h MET 31 N -0.29 1.09 0.21 0.04 4.05 0.03 -0.59 114.93 119.46 1m56 h MET 31 Ca -0.01 -0.07 -0.01 0.00 -0.28 0.00 0.00 59.70 59.34 1m56 h MET 31 Cb 0.25 -0.24 0.00 0.00 -0.80 0.00 0.00 31.60 30.81 1m56 h MET 31 CO 0.01 0.72 -0.10 0.28 0.23 0.00 0.00 176.91 178.05 1m56 h VAL 32 N 1.12 0.81 -0.34 -5.77 2.07 -1.22 -1.07 116.25 111.85 1m56 h VAL 32 Ca 0.38 -0.07 0.07 0.00 0.82 0.00 0.00 66.70 67.90 1m56 h VAL 32 Cb 0.06 0.86 -0.08 0.00 -1.52 0.00 0.00 31.29 30.61 1m56 h VAL 32 CO -0.14 0.02 -0.18 0.74 0.02 0.00 0.00 177.57 178.03 1m56 h THR 33 N -0.31 0.47 -0.48 2.57 2.02 -1.20 0.27 112.91 116.25 1m56 h THR 33 Ca -0.03 0.00 0.08 0.00 0.77 0.00 0.00 66.41 67.24 1m56 h THR 33 Cb 0.24 0.47 -0.10 0.00 -1.74 0.00 0.00 68.15 67.02 1m56 h THR 33 CO 0.05 0.00 -0.38 -0.25 0.37 0.00 0.00 175.52 175.30 1m56 h TRP 34 N -0.13 -1.10 0.05 3.16 7.01 -0.98 -2.71 115.95 121.26 1m56 h TRP 34 Ca 0.17 0.07 -0.00 0.00 2.11 0.00 0.00 58.89 61.24 1m56 h TRP 34 Cb 0.39 0.55 -0.00 0.00 -2.10 0.00 0.00 29.16 28.00 1m56 h TRP 34 CO -0.39 -0.41 -0.05 0.00 -2.79 0.00 0.00 178.44 174.79 1m56 h ALA 35 N 0.67 -0.81 -0.59 2.65 0.00 0.38 -2.31 119.26 119.25 1m56 h ALA 35 Ca 0.18 -0.02 0.07 0.00 0.00 0.00 0.00 54.91 55.13 1m56 h ALA 35 Cb 0.56 0.29 -0.08 0.00 0.00 0.00 0.00 17.79 18.56 1m56 h ALA 35 CO -0.61 -0.81 -0.30 0.00 0.00 0.00 0.00 179.25 177.53 1m56 n ALA 36 N -2.30 -0.25 0.17 0.00 0.00 -0.76 0.19 120.51 117.56 1m56 n ALA 36 Ca -0.01 0.54 0.01 0.00 0.00 0.00 0.00 53.44 53.98 1m56 n ALA 36 Cb 0.05 -0.16 0.31 0.00 0.00 0.00 0.00 19.45 19.65 1m56 n ALA 36 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 1m56 h VAL 37 N 0.00 1.30 -0.19 0.00 2.07 -1.52 -2.32 116.25 115.59 1m56 h VAL 37 Ca 0.14 -1.44 -0.12 0.00 0.82 0.00 0.00 66.70 66.11 1m56 h VAL 37 Cb 0.29 1.75 -0.01 0.00 -1.52 0.00 0.00 31.29 31.80 1m56 h VAL 37 CO -0.57 0.41 -0.40 0.58 0.02 0.00 0.00 177.57 177.61 1m56 h VAL 38 N 0.03 1.30 0.01 2.57 2.07 0.34 -1.54 116.25 121.03 1m56 h VAL 38 Ca -0.00 -1.54 -0.00 0.00 0.82 0.00 0.00 66.70 65.98 1m56 h VAL 38 Cb 0.74 1.59 0.00 0.00 -1.52 0.00 0.00 31.29 32.11 1m56 h VAL 38 CO 0.05 0.48 -0.00 0.40 0.02 0.00 0.00 177.57 178.52 1m56 h ILE 39 N 0.36 1.51 -0.38 4.57 2.04 -1.25 -2.87 117.51 121.48 1m56 h ILE 39 Ca 0.03 -1.55 0.06 0.00 1.00 0.00 0.00 64.86 64.40 1m56 h ILE 39 Cb 0.86 2.55 -0.05 0.00 -0.74 0.00 0.00 36.82 39.44 1m56 h ILE 39 CO 0.07 0.40 0.08 0.58 0.00 0.00 0.00 178.15 179.28 1m56 h VAL 40 N -0.67 0.81 0.00 1.67 2.07 -1.39 1.47 116.25 120.21 1m56 h VAL 40 Ca -0.00 -0.07 -0.01 0.00 0.82 0.00 0.00 66.70 67.43 1m56 h VAL 40 Cb 0.66 0.59 -0.00 0.00 -1.52 0.00 0.00 31.29 31.01 1m56 h VAL 40 CO 0.00 0.04 -0.07 0.00 0.02 0.00 0.00 177.57 177.56 1m56 h ALA 41 N 1.29 1.20 0.03 1.67 0.00 -1.39 0.44 119.26 122.50 1m56 h ALA 41 Ca 0.18 -0.06 -0.00 0.00 0.00 0.00 0.00 54.91 55.03 1m56 h ALA 41 Cb 0.21 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.99 1m56 h ALA 41 CO -0.24 0.09 -0.02 0.00 0.00 0.00 0.00 179.25 179.08 1m56 h ALA 42 N 1.93 -0.05 -0.11 0.00 0.00 -0.46 -0.90 119.26 119.67 1m56 h ALA 42 Ca -0.00 -0.33 0.02 0.00 0.00 0.00 0.00 54.91 54.60 1m56 h ALA 42 Cb 0.27 0.02 -0.04 0.00 0.00 0.00 0.00 17.79 18.04 1m56 h ALA 42 CO 0.01 -0.09 -0.30 -0.07 0.00 0.00 0.00 179.25 178.80 1m56 h LEU 43 N -0.92 -0.98 -0.84 0.00 3.38 0.23 0.49 115.31 116.67 1m56 h LEU 43 Ca -0.00 0.12 0.15 0.00 0.09 0.00 0.00 57.88 58.24 1m56 h LEU 43 Cb 0.67 0.39 -0.15 0.00 0.09 0.00 0.00 40.66 41.66 1m56 h LEU 43 CO 0.01 -0.26 -0.30 0.40 0.09 0.00 0.00 178.44 178.38 1m56 h ILE 44 N -0.30 0.10 -0.09 1.22 2.04 -1.01 0.32 117.51 119.79 1m56 h ILE 44 Ca 0.02 0.00 0.01 0.00 1.00 0.00 0.00 64.86 65.90 1m56 h ILE 44 Cb 0.36 0.10 -0.02 0.00 -0.74 0.00 0.00 36.82 36.52 1m56 h ILE 44 CO -0.27 0.00 -0.19 0.15 0.00 0.00 0.00 178.15 177.85 1m56 h PHE 45 N -0.04 -0.57 -0.98 1.37 3.04 -0.42 -1.25 116.94 118.10 1m56 h PHE 45 Ca 0.35 0.02 0.15 0.00 3.98 0.00 0.00 57.97 62.48 1m56 h PHE 45 Cb 0.60 0.26 -0.16 0.00 2.56 0.00 0.00 35.95 39.21 1m56 h PHE 45 CO -0.73 -0.18 -0.38 1.25 -2.02 0.00 0.00 178.31 176.25 1m56 h LEU 46 N -0.17 -1.41 -0.43 0.59 5.85 0.07 0.28 115.31 120.09 1m56 h LEU 46 Ca 0.02 0.31 0.05 0.00 0.84 0.00 0.00 57.88 59.09 1m56 h LEU 46 Cb 0.22 0.75 -0.08 0.00 0.37 0.00 0.00 40.66 41.92 1m56 h LEU 46 CO -0.18 -0.29 -0.49 0.00 -0.34 0.00 0.00 178.44 177.15 1m56 h ALA 47 N 1.38 -0.69 -0.55 1.25 0.00 0.09 0.16 119.26 120.91 1m56 h ALA 47 Ca 0.35 0.01 0.07 0.00 0.00 0.00 0.00 54.91 55.34 1m56 h ALA 47 Cb 0.60 1.11 -0.06 0.00 0.00 0.00 0.00 17.79 19.44 1m56 h ALA 47 CO -0.98 -0.94 0.23 -0.07 0.00 0.00 0.00 179.25 177.50 1m56 h LEU 48 N -0.30 0.27 -0.11 0.00 3.38 0.59 0.31 115.31 119.44 1m56 h LEU 48 Ca 0.07 0.06 -0.15 0.00 0.09 0.00 0.00 57.88 57.95 1m56 h LEU 48 Cb 0.49 0.02 -0.02 0.00 0.09 0.00 0.00 40.66 41.24 1m56 h LEU 48 CO -0.56 0.18 -0.73 0.00 0.09 0.00 0.00 178.44 177.42 1m56 h ALA 49 N 1.35 0.57 0.00 1.53 0.00 -0.83 -3.41 119.26 118.46 1m56 h ALA 49 Ca 0.26 -0.66 0.00 0.00 0.00 0.00 0.00 54.91 54.51 1m56 h ALA 49 Cb 0.26 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 17.94 1m56 h ALA 49 CO -0.24 0.91 -0.30 -1.71 0.00 0.00 0.00 179.25 177.91 1m56 n ASN 50 N -3.34 1.49 0.00 0.00 5.15 0.53 -5.07 115.26 114.01 1m56 n ASN 50 Ca 0.01 -0.00 0.00 0.00 -0.60 0.00 0.00 54.58 53.99 1m56 n ASN 50 Cb 0.81 0.30 0.00 0.00 -0.53 0.00 0.00 39.78 40.35 1m56 n ASN 50 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66