#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 3.71 -0.46 1.61 0.09 -1.26 -4.91 115.29 114.07 1m56 s HIS 11 Ca 0.00 1.70 0.07 0.00 -0.00 0.00 0.00 55.06 56.82 1m56 s HIS 11 Cb 0.00 -3.14 0.31 0.00 -0.00 0.00 0.00 32.58 29.74 1m56 s HIS 11 CO 0.00 -0.13 1.04 0.28 -0.00 0.00 0.00 174.74 175.93 1m56 n VAL 12 N 3.00 -0.03 -1.68 -0.90 0.31 -1.26 -5.13 118.33 112.64 1m56 n VAL 12 Ca 0.04 -1.82 -0.45 0.00 -0.01 0.00 0.00 64.34 62.10 1m56 n VAL 12 Cb 0.49 1.28 -0.03 0.00 -0.91 0.00 0.00 33.84 34.66 1m56 n VAL 12 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1m56 n ALA 13 N 0.57 1.60 0.00 3.52 0.00 -1.26 -2.98 120.51 121.95 1m56 n ALA 13 Ca 0.08 0.42 0.00 0.00 0.00 0.00 0.00 53.44 53.95 1m56 n ALA 13 Cb 0.68 -2.36 0.00 0.00 0.00 0.00 0.00 19.45 17.77 1m56 n ALA 13 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1m56 n GLY 14 N 3.00 2.05 0.96 0.00 0.00 -1.26 -4.92 105.19 105.03 1m56 n GLY 14 Ca 0.14 0.00 0.05 0.00 0.00 0.00 0.00 46.02 46.22 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 0.00 2.76 -4.83 1.61 2.88 -1.16 -4.93 113.62 109.95 1m56 n SER 15 Ca 0.00 -2.20 -0.30 0.00 -1.33 0.00 0.00 58.87 55.03 1m56 n SER 15 Cb 0.00 -0.40 0.06 0.00 -0.75 0.00 0.00 64.21 63.12 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 -1.66 2.66 -0.22 -1.46 0.00 -1.26 -5.01 119.30 112.34 1m56 s MET 16 Ca 0.28 0.76 -0.25 0.00 0.00 0.00 0.00 55.69 56.48 1m56 s MET 16 Cb 0.18 -1.97 -0.01 0.00 0.00 0.00 0.00 34.83 33.03 1m56 s MET 16 CO 0.15 -1.25 0.83 0.34 0.00 0.00 0.00 175.02 175.09 1m56 s ASP 17 N -3.94 6.87 -0.11 1.11 -1.08 -1.26 -4.95 116.67 113.31 1m56 s ASP 17 Ca 0.59 1.08 0.14 0.00 -0.52 0.00 0.00 52.55 53.84 1m56 s ASP 17 Cb -0.14 -2.44 0.39 0.00 -1.46 0.00 0.00 42.92 39.27 1m56 s ASP 17 CO 0.54 -0.47 1.30 -0.38 0.52 0.00 0.00 175.17 176.67 1m56 n ILE 18 N 5.08 1.80 -0.10 4.11 5.41 -1.26 -4.73 119.36 129.67 1m56 n ILE 18 Ca 0.05 -1.67 -0.07 0.00 1.00 0.00 0.00 62.75 62.06 1m56 n ILE 18 Cb 0.48 -0.01 -0.00 0.00 -0.71 0.00 0.00 39.64 39.40 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 1.36 0.36 -0.46 1.39 2.02 -2.00 -1.20 112.91 114.38 1m56 h THR 19 Ca 0.00 0.00 0.02 0.00 0.77 0.00 0.00 66.41 67.20 1m56 h THR 19 Cb 1.11 0.36 -0.03 0.00 -1.74 0.00 0.00 68.15 67.86 1m56 h THR 19 CO 0.11 0.00 0.28 1.56 0.37 0.00 0.00 175.52 177.84 1m56 h GLN 20 N -0.19 0.55 -0.31 6.66 1.08 -2.00 -2.30 115.11 118.59 1m56 h GLN 20 Ca 0.17 -0.03 -0.00 0.00 -1.45 0.00 0.00 58.65 57.34 1m56 h GLN 20 Cb 0.47 -0.12 -0.01 0.00 -0.05 0.00 0.00 27.48 27.76 1m56 h GLN 20 CO -0.47 0.36 0.19 1.96 -0.95 0.00 0.00 178.83 179.92 1m56 h GLN 21 N 0.56 0.41 -0.47 1.46 7.50 -1.82 -0.94 115.11 121.81 1m56 h GLN 21 Ca 0.18 -0.04 0.02 0.00 0.50 0.00 0.00 58.65 59.32 1m56 h GLN 21 Cb 0.00 -0.09 -0.03 0.00 0.05 0.00 0.00 27.48 27.42 1m56 h GLN 21 CO -0.08 0.31 0.29 0.93 -1.50 0.00 0.00 178.83 178.78 1m56 h GLU 22 N 0.40 0.56 -0.82 1.46 5.08 -1.04 0.24 114.58 120.45 1m56 h GLU 22 Ca 0.11 -0.03 -0.03 0.00 -1.00 0.00 0.00 59.36 58.41 1m56 h GLU 22 Cb 0.00 -0.13 -0.04 0.00 0.50 0.00 0.00 28.75 29.09 1m56 h GLU 22 CO -0.02 0.37 0.40 -0.22 -1.00 0.00 0.00 179.01 178.54 1m56 h LYS 23 N 0.58 1.16 0.02 2.33 3.64 -1.33 -1.66 116.57 121.31 1m56 h LYS 23 Ca 0.19 -0.16 -0.00 0.00 -1.27 0.00 0.00 60.65 59.41 1m56 h LYS 23 Cb -0.00 -0.22 0.00 0.00 -0.41 0.00 0.00 32.23 31.60 1m56 h LYS 23 CO -0.08 0.88 -0.01 1.15 -2.27 0.00 0.00 179.45 179.13 1m56 h THR 24 N 1.16 1.01 -0.42 1.00 2.02 -0.42 -2.09 112.91 115.17 1m56 h THR 24 Ca 0.28 -0.09 0.02 0.00 0.77 0.00 0.00 66.41 67.39 1m56 h THR 24 Cb 0.09 1.07 -0.03 0.00 -1.74 0.00 0.00 68.15 67.54 1m56 h THR 24 CO -0.04 0.02 0.23 0.15 0.37 0.00 0.00 175.52 176.26 1m56 h PHE 25 N -0.07 0.44 -0.84 3.16 3.57 -0.38 -0.03 116.94 122.78 1m56 h PHE 25 Ca -0.00 0.02 0.15 0.00 3.53 0.00 0.00 57.97 61.67 1m56 h PHE 25 Cb 0.06 -0.14 -0.10 0.00 2.79 0.00 0.00 35.95 38.57 1m56 h PHE 25 CO -0.06 0.24 0.42 0.00 -2.23 0.00 0.00 178.31 176.68 1m56 h ALA 26 N 1.20 1.27 0.04 2.41 0.00 -1.05 0.13 119.26 123.26 1m56 h ALA 26 Ca 0.17 0.10 -0.00 0.00 0.00 0.00 0.00 54.91 55.18 1m56 h ALA 26 Cb 0.04 0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.84 1m56 h ALA 26 CO -0.10 -0.13 -0.02 0.78 0.00 0.00 0.00 179.25 179.79 1m56 h GLY 27 N 0.58 -0.06 -0.50 0.00 0.00 -0.66 -2.30 103.07 100.13 1m56 h GLY 27 Ca 0.47 0.02 0.11 0.00 0.00 0.00 0.00 47.33 47.93 1m56 h GLY 27 CO -0.38 -0.02 -0.33 -2.75 0.00 0.00 0.00 176.54 173.05 1m56 h PHE 28 N -0.57 -0.91 -0.33 5.60 3.57 0.03 0.61 116.94 124.94 1m56 h PHE 28 Ca -0.01 0.08 0.01 0.00 3.53 0.00 0.00 57.97 61.58 1m56 h PHE 28 Cb 0.51 0.50 -0.02 0.00 2.79 0.00 0.00 35.95 39.73 1m56 h PHE 28 CO 0.10 -0.38 0.20 0.28 -2.23 0.00 0.00 178.31 176.27 1m56 h VAL 29 N -0.13 1.05 -0.07 1.41 2.07 -0.82 -1.18 116.25 118.58 1m56 h VAL 29 Ca 0.26 -0.14 -0.00 0.00 0.82 0.00 0.00 66.70 67.63 1m56 h VAL 29 Cb 0.56 0.61 -0.00 0.00 -1.52 0.00 0.00 31.29 30.93 1m56 h VAL 29 CO -0.73 0.07 0.03 0.03 0.02 0.00 0.00 177.57 177.00 1m56 h ARG 30 N 0.41 0.11 -0.70 1.57 3.08 -0.10 -3.06 114.38 115.68 1m56 h ARG 30 Ca 0.13 -0.02 0.04 0.00 0.07 0.00 0.00 59.98 60.20 1m56 h ARG 30 Cb -0.02 -0.02 -0.04 0.00 0.08 0.00 0.00 29.97 29.97 1m56 h ARG 30 CO -0.05 0.21 0.46 1.98 -1.07 0.00 0.00 179.97 181.50 1m56 h MET 31 N -0.02 0.78 -0.04 0.04 4.05 0.45 -1.78 114.93 118.41 1m56 h MET 31 Ca 0.02 -0.05 -0.01 0.00 -0.28 0.00 0.00 59.70 59.39 1m56 h MET 31 Cb 0.14 -0.18 -0.00 0.00 -0.80 0.00 0.00 31.60 30.76 1m56 h MET 31 CO -0.00 0.52 -0.00 0.28 0.23 0.00 0.00 176.91 177.93 1m56 h VAL 32 N 0.80 1.27 -0.86 -5.77 2.07 -1.24 -1.57 116.25 110.96 1m56 h VAL 32 Ca 0.29 -0.81 0.09 0.00 0.82 0.00 0.00 66.70 67.09 1m56 h VAL 32 Cb 0.13 1.73 -0.07 0.00 -1.52 0.00 0.00 31.29 31.56 1m56 h VAL 32 CO -0.09 0.22 0.50 0.74 0.02 0.00 0.00 177.57 178.97 1m56 h THR 33 N -0.23 0.94 -0.14 2.57 2.02 -1.30 0.57 112.91 117.34 1m56 h THR 33 Ca 0.01 -0.29 0.04 0.00 0.77 0.00 0.00 66.41 66.94 1m56 h THR 33 Cb 0.35 0.01 -0.05 0.00 -1.74 0.00 0.00 68.15 66.72 1m56 h THR 33 CO 0.00 0.16 -0.17 -0.25 0.37 0.00 0.00 175.52 175.63 1m56 h TRP 34 N 0.85 -0.43 0.28 3.16 7.01 -1.18 -2.46 115.95 123.18 1m56 h TRP 34 Ca 0.41 0.02 -0.01 0.00 2.11 0.00 0.00 58.89 61.42 1m56 h TRP 34 Cb 0.34 0.21 -0.01 0.00 -2.10 0.00 0.00 29.16 27.60 1m56 h TRP 34 CO -0.05 -0.24 -0.28 0.00 -2.79 0.00 0.00 178.44 175.08 1m56 h ALA 35 N 0.84 -0.97 -0.81 2.65 0.00 0.09 -1.71 119.26 119.35 1m56 h ALA 35 Ca 0.10 -0.10 0.10 0.00 0.00 0.00 0.00 54.91 55.00 1m56 h ALA 35 Cb 0.35 0.52 -0.12 0.00 0.00 0.00 0.00 17.79 18.54 1m56 h ALA 35 CO -0.26 -0.99 -0.50 0.00 0.00 0.00 0.00 179.25 177.51 1m56 h ALA 36 N -1.29 -0.35 0.00 0.00 0.00 -1.14 0.13 119.26 116.61 1m56 h ALA 36 Ca -0.03 0.14 -0.04 0.00 0.00 0.00 0.00 54.91 54.97 1m56 h ALA 36 Cb 0.48 1.15 -0.01 0.00 0.00 0.00 0.00 17.79 19.41 1m56 h ALA 36 CO -0.03 -0.86 -0.21 0.28 0.00 0.00 0.00 179.25 178.42 1m56 h VAL 37 N -0.11 0.89 -0.22 0.00 2.07 -1.36 -1.70 116.25 115.82 1m56 h VAL 37 Ca 0.20 -0.80 -0.16 0.00 0.82 0.00 0.00 66.70 66.76 1m56 h VAL 37 Cb 0.52 1.47 -0.01 0.00 -1.52 0.00 0.00 31.29 31.75 1m56 h VAL 37 CO -0.84 0.21 -0.50 0.58 0.02 0.00 0.00 177.57 177.03 1m56 h VAL 38 N 0.00 1.31 0.27 2.57 2.07 0.16 -2.11 116.25 120.53 1m56 h VAL 38 Ca -0.00 -1.72 -0.01 0.00 0.82 0.00 0.00 66.70 65.78 1m56 h VAL 38 Cb 0.45 1.68 0.00 0.00 -1.52 0.00 0.00 31.29 31.91 1m56 h VAL 38 CO 0.03 0.54 -0.13 0.40 0.02 0.00 0.00 177.57 178.43 1m56 h ILE 39 N 0.48 0.68 -0.19 4.57 2.04 -0.90 -2.60 117.51 121.57 1m56 h ILE 39 Ca 0.02 -0.78 0.05 0.00 1.00 0.00 0.00 64.86 65.15 1m56 h ILE 39 Cb 1.05 1.05 -0.07 0.00 -0.74 0.00 0.00 36.82 38.10 1m56 h ILE 39 CO 0.10 0.14 -0.39 0.58 0.00 0.00 0.00 178.15 178.58 1m56 h VAL 40 N -0.84 0.18 -0.01 1.67 2.07 -1.34 1.70 116.25 119.69 1m56 h VAL 40 Ca -0.04 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.48 1m56 h VAL 40 Cb 0.51 0.18 -0.00 0.00 -1.52 0.00 0.00 31.29 30.47 1m56 h VAL 40 CO 0.06 0.00 0.01 0.00 0.02 0.00 0.00 177.57 177.66 1m56 h ALA 41 N 0.30 1.44 -0.02 1.67 0.00 -1.49 0.18 119.26 121.34 1m56 h ALA 41 Ca 0.10 -0.00 -0.20 0.00 0.00 0.00 0.00 54.91 54.81 1m56 h ALA 41 Cb 0.59 0.00 0.02 0.00 0.00 0.00 0.00 17.79 18.40 1m56 h ALA 41 CO -0.42 -0.02 -0.77 0.00 0.00 0.00 0.00 179.25 178.05 1m56 h ALA 42 N 1.98 0.11 0.24 0.00 0.00 0.25 -0.51 119.26 121.33 1m56 h ALA 42 Ca 0.00 -0.61 0.00 0.00 0.00 0.00 0.00 54.91 54.30 1m56 h ALA 42 Cb 0.03 0.04 -0.02 0.00 0.00 0.00 0.00 17.79 17.84 1m56 h ALA 42 CO -0.00 0.49 -0.23 -0.07 0.00 0.00 0.00 179.25 179.44 1m56 h LEU 43 N 0.13 -0.61 -0.51 0.00 3.38 0.42 -2.03 115.31 116.09 1m56 h LEU 43 Ca -0.09 0.06 0.10 0.00 0.09 0.00 0.00 57.88 58.04 1m56 h LEU 43 Cb 1.45 0.21 -0.10 0.00 0.09 0.00 0.00 40.66 42.31 1m56 h LEU 43 CO 0.15 -0.34 -0.13 0.40 0.09 0.00 0.00 178.44 178.61 1m56 h ILE 44 N -0.49 0.48 -0.19 1.22 2.04 -0.78 -0.75 117.51 119.04 1m56 h ILE 44 Ca -0.00 0.00 0.03 0.00 1.00 0.00 0.00 64.86 65.88 1m56 h ILE 44 Cb 0.46 0.48 -0.05 0.00 -0.74 0.00 0.00 36.82 36.96 1m56 h ILE 44 CO -0.05 0.00 -0.42 0.15 0.00 0.00 0.00 178.15 177.83 1m56 h PHE 45 N -0.01 -1.28 -0.77 1.37 3.04 -0.76 -0.41 116.94 118.13 1m56 h PHE 45 Ca 0.25 0.05 0.16 0.00 3.98 0.00 0.00 57.97 62.41 1m56 h PHE 45 Cb 0.38 0.58 -0.14 0.00 2.56 0.00 0.00 35.95 39.33 1m56 h PHE 45 CO -0.44 -0.41 -0.15 1.25 -2.02 0.00 0.00 178.31 176.55 1m56 h LEU 46 N -0.39 -0.63 -0.01 0.59 5.85 -0.88 0.32 115.31 120.15 1m56 h LEU 46 Ca 0.04 0.23 0.03 0.00 0.84 0.00 0.00 57.88 59.02 1m56 h LEU 46 Cb 0.50 0.45 -0.05 0.00 0.37 0.00 0.00 40.66 41.93 1m56 h LEU 46 CO -0.39 -0.24 -0.32 0.00 -0.34 0.00 0.00 178.44 177.15 1m56 h ALA 47 N 1.76 -0.47 -0.05 1.25 0.00 -0.17 0.16 119.26 121.74 1m56 h ALA 47 Ca 0.39 -0.01 -0.00 0.00 0.00 0.00 0.00 54.91 55.28 1m56 h ALA 47 Cb 0.62 0.57 -0.00 0.00 0.00 0.00 0.00 17.79 18.98 1m56 h ALA 47 CO -0.77 -0.83 0.02 -0.07 0.00 0.00 0.00 179.25 177.60 1m56 h LEU 48 N -0.47 0.07 -0.73 0.00 3.38 0.11 -2.54 115.31 115.14 1m56 h LEU 48 Ca 0.06 -0.16 -0.01 0.00 0.09 0.00 0.00 57.88 57.85 1m56 h LEU 48 Cb 0.56 -0.02 -0.03 0.00 0.09 0.00 0.00 40.66 41.26 1m56 h LEU 48 CO -0.27 0.22 0.40 0.00 0.09 0.00 0.00 178.44 178.87 1m56 h ALA 49 N 0.86 0.94 0.00 1.53 0.00 -0.74 -3.41 119.26 118.44 1m56 h ALA 49 Ca 0.02 -0.11 0.00 0.00 0.00 0.00 0.00 54.91 54.81 1m56 h ALA 49 Cb 0.17 -0.29 0.00 0.00 0.00 0.00 0.00 17.79 17.66 1m56 h ALA 49 CO -0.00 0.45 -0.61 -1.71 0.00 0.00 0.00 179.25 177.38 1m56 n ASN 50 N -4.47 3.06 0.00 0.00 5.15 0.54 -5.06 115.26 114.47 1m56 n ASN 50 Ca 0.06 0.00 0.00 0.00 -0.60 0.00 0.00 54.58 54.04 1m56 n ASN 50 Cb 0.09 0.35 0.00 0.00 -0.53 0.00 0.00 39.78 39.69 1m56 n ASN 50 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66