#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1sp4 s PRO 2 N 0.00 2.08 0.24 3.23 0.04 -1.26 -4.93 135.00 134.41 1sp4 s PRO 2 Ca 0.00 1.91 -0.04 0.00 0.04 0.00 0.00 61.00 62.91 1sp4 s PRO 2 Cb 0.00 -1.81 0.27 0.00 0.04 0.00 0.00 34.50 33.00 1sp4 s PRO 2 CO 0.00 -1.91 1.74 1.49 0.04 0.00 0.00 177.00 178.36 1sp4 h GLU 3 N -0.19 0.89 -6.07 4.56 4.81 -2.14 -3.44 114.58 113.01 1sp4 h GLU 3 Ca -0.49 -0.24 -0.57 0.00 -0.13 0.00 0.00 59.36 57.94 1sp4 h GLU 3 Cb 1.32 -0.11 -0.14 0.00 0.63 0.00 0.00 28.75 30.45 1sp4 h GLU 3 CO 0.50 0.86 -0.76 -1.12 -0.73 0.00 0.00 179.01 177.76 1sp4 s SER 4 N -6.60 3.30 -0.29 1.04 0.01 -1.26 -5.15 113.70 104.74 1sp4 s SER 4 Ca -0.10 -1.01 -0.15 0.00 1.31 0.00 0.00 55.95 55.99 1sp4 s SER 4 Cb 0.15 -0.25 0.15 0.00 0.21 0.00 0.00 66.02 66.27 1sp4 s SER 4 CO 0.82 -0.01 0.94 0.12 0.41 0.00 0.00 173.24 175.53 1sp4 s PHE 5 N -2.56 -0.69 -0.19 2.43 2.19 -1.26 -5.14 117.98 112.77 1sp4 s PHE 5 Ca 0.27 1.29 -0.00 0.00 0.33 0.00 0.00 56.93 58.81 1sp4 s PHE 5 Cb -0.04 0.41 0.05 0.00 -1.31 0.00 0.00 43.02 42.13 1sp4 s PHE 5 CO 0.12 -0.34 -0.04 0.34 1.83 0.00 0.00 175.22 177.13 1sp4 s ASP 6 N 1.84 3.12 0.54 6.13 -1.08 -1.26 -5.02 116.67 120.95 1sp4 s ASP 6 Ca -0.07 -0.83 0.21 0.00 -0.52 0.00 0.00 52.55 51.34 1sp4 s ASP 6 Cb -0.05 -0.94 1.43 0.00 -1.46 0.00 0.00 42.92 41.90 1sp4 s ASP 6 CO -0.16 -0.22 2.15 0.00 0.52 0.00 0.00 175.17 177.46 1sp4 h ALA 7 N 8.09 1.94 -0.56 3.66 0.00 -1.98 -1.93 119.26 128.47 1sp4 h ALA 7 Ca -0.21 -0.00 -0.03 0.00 0.00 0.00 0.00 54.91 54.66 1sp4 h ALA 7 Cb 1.10 0.01 -0.03 0.00 0.00 0.00 0.00 17.79 18.87 1sp4 h ALA 7 CO 0.40 -0.09 0.24 0.00 0.00 0.00 0.00 179.25 179.79 1sp4 h ARG 8 N 0.00 0.83 0.00 0.00 3.08 -1.89 -1.98 114.38 114.42 1sp4 h ARG 8 Ca 0.03 -0.14 -0.22 0.00 0.07 0.00 0.00 59.98 59.72 1sp4 h ARG 8 Cb 0.14 -0.14 -0.00 0.00 0.08 0.00 0.00 29.97 30.05 1sp4 h ARG 8 CO -0.00 0.71 -0.92 0.93 -1.07 0.00 0.00 179.97 179.62 1sp4 h GLU 9 N 0.77 0.33 -0.01 0.04 5.08 -1.82 -3.32 114.58 115.65 1sp4 h GLU 9 Ca 0.19 -0.36 -0.14 0.00 -1.00 0.00 0.00 59.36 58.05 1sp4 h GLU 9 Cb 0.18 0.10 -0.02 0.00 0.50 0.00 0.00 28.75 29.51 1sp4 h GLU 9 CO -0.02 1.05 -0.63 1.96 -1.00 0.00 0.00 179.01 180.37 1sp4 h GLN 10 N 0.19 0.04 -2.27 2.33 1.08 -1.12 -3.35 115.11 112.01 1sp4 h GLN 10 Ca -0.07 -0.03 -0.60 0.00 -1.45 0.00 0.00 58.65 56.50 1sp4 h GLN 10 Cb 1.55 0.01 -0.42 0.00 -0.05 0.00 0.00 27.48 28.57 1sp4 h GLN 10 CO 0.15 0.66 -0.66 0.91 -0.95 0.00 0.00 178.83 178.94 1sp4 n TRP 11 N -3.80 3.00 0.25 2.96 8.01 -0.77 -4.94 117.44 122.16 1sp4 n TRP 11 Ca -0.01 -4.08 0.17 0.00 -1.31 0.00 0.00 57.50 52.26 1sp4 n TRP 11 Cb 0.63 -0.52 0.90 0.00 -2.01 0.00 0.00 31.31 30.30 1sp4 n TRP 11 CO 0.00 0.00 0.00 -1.00 -1.01 0.00 0.00 177.69 175.68 1sp4 h PRO 12 N 4.32 0.00 -0.13 -0.99 0.14 -1.71 -1.63 132.00 132.00 1sp4 h PRO 12 Ca 0.18 0.00 0.00 0.00 0.14 0.00 0.00 66.00 66.32 1sp4 h PRO 12 Cb 0.70 0.00 0.00 0.00 0.14 0.00 0.00 31.00 31.84 1sp4 h PRO 12 CO 0.77 0.00 0.00 0.09 0.14 0.00 0.00 178.00 179.00 1sp4 n ASN 13 N -2.66 0.92 -3.73 1.44 3.02 -1.26 -4.55 115.26 108.44 1sp4 n ASN 13 Ca -0.02 -1.77 -0.28 0.00 -0.03 0.00 0.00 54.58 52.48 1sp4 n ASN 13 Cb 0.05 -0.09 -0.12 0.00 -0.61 0.00 0.00 39.78 39.02 1sp4 n ASN 13 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1sp4 h PRO 15 N 5.63 0.09 -0.13 0.00 0.11 -1.83 -2.05 132.00 133.83 1sp4 h PRO 15 Ca 0.16 -0.01 0.04 0.00 0.11 0.00 0.00 66.00 66.30 1sp4 h PRO 15 Cb 0.82 -0.02 -0.01 0.00 0.11 0.00 0.00 31.00 31.90 1sp4 h PRO 15 CO 0.59 0.06 0.09 1.79 -0.21 0.00 0.00 178.00 180.33 1sp4 h THR 16 N 0.10 0.92 -0.49 -1.15 1.35 -1.93 -2.06 112.91 109.64 1sp4 h THR 16 Ca 0.39 0.00 0.04 0.00 -0.55 0.00 0.00 66.41 66.29 1sp4 h THR 16 Cb 1.41 0.94 -0.03 0.00 -1.73 0.00 0.00 68.15 68.73 1sp4 h THR 16 CO -0.04 0.00 0.33 0.40 -0.25 0.00 0.00 175.52 175.96 1sp4 h ILE 17 N 0.00 1.04 0.00 6.82 2.04 -1.73 -0.92 117.51 124.76 1sp4 h ILE 17 Ca 0.06 -0.18 0.00 0.00 1.00 0.00 0.00 64.86 65.74 1sp4 h ILE 17 Cb 0.24 0.46 0.00 0.00 -0.74 0.00 0.00 36.82 36.78 1sp4 h ILE 17 CO -0.00 0.10 -0.31 0.29 0.00 0.00 0.00 178.15 178.23 1sp4 n LYS 18 N -4.47 0.11 -2.53 2.37 5.02 -0.78 -4.85 118.16 113.03 1sp4 n LYS 18 Ca 0.06 0.05 -0.39 0.00 -2.02 0.00 0.00 58.31 56.01 1sp4 n LYS 18 Cb 0.16 -1.59 -0.04 0.00 -0.02 0.00 0.00 35.03 33.54 1sp4 n LYS 18 CO 0.00 0.00 0.00 -2.00 -0.52 0.00 0.00 177.40 174.88 1sp4 s GLU 19 N -3.06 4.54 -0.10 1.97 2.12 -0.35 -5.06 118.70 118.77 1sp4 s GLU 19 Ca 0.11 1.69 0.04 0.00 0.36 0.00 0.00 54.97 57.16 1sp4 s GLU 19 Cb 0.16 -3.03 -0.01 0.00 0.26 0.00 0.00 34.13 31.51 1sp4 s GLU 19 CO 0.64 0.16 -0.22 0.42 -0.54 0.00 0.00 175.26 175.72 1sp4 s ILE 20 N -1.29 2.27 0.58 -3.70 -1.09 -1.26 -5.05 121.20 111.65 1sp4 s ILE 20 Ca 0.47 -0.95 0.08 0.00 -2.23 0.00 0.00 60.65 58.02 1sp4 s ILE 20 Cb -0.29 -1.88 0.07 0.00 -1.58 0.00 0.00 42.46 38.79 1sp4 s ILE 20 CO 0.36 0.56 0.64 -0.13 -1.23 0.00 0.00 174.94 175.14 1sp4 s ARG 21 N 0.23 2.25 -0.15 2.79 0.52 -1.26 -5.12 118.95 118.20 1sp4 s ARG 21 Ca -0.14 -1.85 -0.02 0.00 -0.52 0.00 0.00 55.73 53.20 1sp4 s ARG 21 Cb -0.17 -2.39 0.05 0.00 0.52 0.00 0.00 34.95 32.96 1sp4 s ARG 21 CO 0.07 -0.81 0.01 0.34 0.02 0.00 0.00 175.30 174.93 1sp4 s ASP 22 N -4.52 2.46 0.09 0.23 -1.08 -1.26 -5.01 116.67 107.58 1sp4 s ASP 22 Ca 0.49 -0.55 0.21 0.00 -0.52 0.00 0.00 52.55 52.18 1sp4 s ASP 22 Cb -0.04 -0.61 0.85 0.00 -1.46 0.00 0.00 42.92 41.65 1sp4 s ASP 22 CO 0.31 -0.24 1.64 0.00 0.52 0.00 0.00 175.17 177.40 1sp4 n GLN 23 N 5.04 0.08 0.00 4.34 10.64 -1.26 -5.00 117.38 131.23 1sp4 n GLN 23 Ca -0.09 0.25 0.00 0.00 -1.83 0.00 0.00 57.00 55.33 1sp4 n GLN 23 Cb 0.48 -1.64 0.00 0.00 -0.86 0.00 0.00 30.24 28.23 1sp4 n GLN 23 CO 0.00 0.00 0.00 0.41 -1.83 0.00 0.00 177.06 175.64 1sp4 n GLY 24 N 0.39 -1.01 3.29 2.61 0.00 -1.26 -4.11 105.19 105.10 1sp4 n GLY 24 Ca 0.04 -1.15 -0.43 0.00 0.00 0.00 0.00 46.02 44.48 1sp4 n GLY 24 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1sp4 n SER 25 N -1.26 4.83 -3.64 1.61 7.64 -1.26 -4.84 113.62 116.70 1sp4 n SER 25 Ca 0.00 -2.94 -0.08 0.00 1.01 0.00 0.00 58.87 56.85 1sp4 n SER 25 Cb 0.00 -1.65 -0.07 0.00 -1.01 0.00 0.00 64.21 61.48 1sp4 n SER 25 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1sp4 n GLY 27 N 2.88 3.79 1.92 0.00 0.00 -1.26 -4.49 105.19 108.03 1sp4 n GLY 27 Ca -0.15 -1.34 0.05 0.00 0.00 0.00 0.00 46.02 44.59 1sp4 n GLY 27 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1sp4 n SER 28 N 3.40 5.66 -0.32 1.61 3.41 -1.26 -4.58 113.62 121.55 1sp4 n SER 28 Ca 0.66 -2.98 0.14 0.00 -0.26 0.00 0.00 58.87 56.43 1sp4 n SER 28 Cb 0.37 -0.70 0.32 0.00 -0.26 0.00 0.00 64.21 63.94 1sp4 n SER 28 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1sp4 h TRP 30 N 0.49 0.93 0.06 0.00 5.08 -1.99 -1.10 115.95 119.42 1sp4 h TRP 30 Ca 0.57 0.02 -0.25 0.00 1.08 0.00 0.00 58.89 60.32 1sp4 h TRP 30 Cb 1.06 -0.30 0.00 0.00 -3.00 0.00 0.00 29.16 26.91 1sp4 h TRP 30 CO -0.09 0.47 -1.08 0.00 -1.28 0.00 0.00 178.44 176.47 1sp4 h ALA 31 N 1.55 0.25 -0.30 0.11 0.00 -1.28 -3.19 119.26 116.40 1sp4 h ALA 31 Ca 0.37 -0.79 -0.15 0.00 0.00 0.00 0.00 54.91 54.34 1sp4 h ALA 31 Cb 0.27 -0.01 -0.00 0.00 0.00 0.00 0.00 17.79 18.05 1sp4 h ALA 31 CO -0.14 0.89 -0.42 0.74 0.00 0.00 0.00 179.25 180.32 1sp4 h PHE 32 N 0.15 0.99 -0.87 0.00 -1.00 -0.73 -0.97 116.94 114.51 1sp4 h PHE 32 Ca -0.10 -0.33 -0.01 0.00 2.81 0.00 0.00 57.97 60.34 1sp4 h PHE 32 Cb 1.75 -0.20 -0.04 0.00 3.61 0.00 0.00 35.95 41.08 1sp4 h PHE 32 CO 0.06 1.13 0.51 0.78 -1.61 0.00 0.00 178.31 179.18 1sp4 h GLY 33 N 0.57 1.28 0.69 -1.45 0.00 -1.32 -1.57 103.07 101.27 1sp4 h GLY 33 Ca 0.03 -0.55 -0.03 0.00 0.00 0.00 0.00 47.33 46.78 1sp4 h GLY 33 CO 0.10 0.53 -0.30 0.00 0.00 0.00 0.00 176.54 176.87 1sp4 h ALA 34 N 1.28 -0.83 -0.10 3.60 0.00 -1.51 -2.84 119.26 118.86 1sp4 h ALA 34 Ca 0.31 -0.20 -0.02 0.00 0.00 0.00 0.00 54.91 55.01 1sp4 h ALA 34 Cb -0.02 0.32 -0.01 0.00 0.00 0.00 0.00 17.79 18.08 1sp4 h ALA 34 CO -0.06 -0.81 -0.02 -0.39 0.00 0.00 0.00 179.25 177.98 1sp4 h VAL 35 N -1.15 1.08 -0.11 0.00 -1.51 -1.11 0.21 116.25 113.66 1sp4 h VAL 35 Ca -0.08 -0.31 -0.04 0.00 -1.23 0.00 0.00 66.70 65.04 1sp4 h VAL 35 Cb 0.67 1.03 -0.00 0.00 -2.13 0.00 0.00 31.29 30.86 1sp4 h VAL 35 CO 0.14 0.10 -0.07 -0.33 -1.23 0.00 0.00 177.57 176.18 1sp4 h GLU 36 N 0.13 0.25 -0.05 5.19 5.08 -1.36 -0.38 114.58 123.43 1sp4 h GLU 36 Ca 0.03 -0.12 -0.12 0.00 -1.00 0.00 0.00 59.36 58.16 1sp4 h GLU 36 Cb 0.13 -0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.36 1sp4 h GLU 36 CO 0.00 0.61 -0.52 0.00 -1.00 0.00 0.00 179.01 178.11 1sp4 h ALA 37 N 0.63 1.02 -0.29 3.43 0.00 -1.15 -1.86 119.26 121.05 1sp4 h ALA 37 Ca 0.02 -0.48 -0.11 0.00 0.00 0.00 0.00 54.91 54.34 1sp4 h ALA 37 Cb 0.55 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.24 1sp4 h ALA 37 CO 0.02 0.67 -0.29 0.82 0.00 0.00 0.00 179.25 180.47 1sp4 h ILE 38 N 0.12 1.28 -0.40 0.00 2.04 -0.44 -0.06 117.51 120.05 1sp4 h ILE 38 Ca 0.00 -1.38 -0.06 0.00 1.00 0.00 0.00 64.86 64.42 1sp4 h ILE 38 Cb 0.96 1.37 -0.01 0.00 -0.74 0.00 0.00 36.82 38.40 1sp4 h ILE 38 CO 0.08 0.44 0.00 0.28 0.00 0.00 0.00 178.15 178.95 1sp4 h SER 39 N 0.51 0.69 -0.50 1.72 0.02 -0.68 -0.22 113.55 115.09 1sp4 h SER 39 Ca 0.07 -0.31 0.00 0.00 -0.84 0.00 0.00 61.79 60.71 1sp4 h SER 39 Cb 0.76 -0.19 -0.02 0.00 0.14 0.00 0.00 62.40 63.08 1sp4 h SER 39 CO 0.06 0.83 0.32 0.44 -1.14 0.00 0.00 176.83 177.34 1sp4 h ASP 40 N 0.54 0.59 0.11 3.07 3.45 -1.01 -2.53 116.42 120.65 1sp4 h ASP 40 Ca 0.11 -0.04 -0.10 0.00 0.43 0.00 0.00 57.03 57.44 1sp4 h ASP 40 Cb 0.48 -0.15 -0.01 0.00 -0.56 0.00 0.00 39.33 39.08 1sp4 h ASP 40 CO 0.02 0.45 -0.32 0.03 -1.57 0.00 0.00 179.24 177.85 1sp4 h ARG 41 N 0.68 0.31 -0.59 3.56 3.08 -0.62 -0.23 114.38 120.57 1sp4 h ARG 41 Ca 0.18 -0.13 -0.09 0.00 0.07 0.00 0.00 59.98 60.01 1sp4 h ARG 41 Cb -0.04 -0.01 -0.02 0.00 0.08 0.00 0.00 29.97 29.97 1sp4 h ARG 41 CO -0.04 0.61 0.02 0.82 -1.07 0.00 0.00 179.97 180.30 1sp4 h ILE 42 N 0.27 1.26 -0.24 2.04 2.04 -0.78 -1.25 117.51 120.86 1sp4 h ILE 42 Ca 0.04 -1.12 -0.06 0.00 1.00 0.00 0.00 64.86 64.71 1sp4 h ILE 42 Cb 0.71 0.81 -0.01 0.00 -0.74 0.00 0.00 36.82 37.59 1sp4 h ILE 42 CO 0.05 0.41 -0.08 0.00 0.00 0.00 0.00 178.15 178.53 1sp4 h ILE 44 N 0.20 1.23 -2.43 0.00 2.04 -0.90 -3.15 117.51 114.51 1sp4 h ILE 44 Ca 0.06 -0.79 -0.71 0.00 1.00 0.00 0.00 64.86 64.41 1sp4 h ILE 44 Cb 0.55 0.53 -0.34 0.00 -0.74 0.00 0.00 36.82 36.82 1sp4 h ILE 44 CO 0.03 0.31 0.22 1.41 0.00 0.00 0.00 178.15 180.11 1sp4 n HIS 45 N -4.28 3.11 -1.23 1.37 8.25 -0.49 -4.92 115.22 117.03 1sp4 n HIS 45 Ca 0.05 -3.25 -0.34 0.00 -0.26 0.00 0.00 57.72 53.92 1sp4 n HIS 45 Cb 0.20 -0.91 -0.05 0.00 1.12 0.00 0.00 29.99 30.36 1sp4 n HIS 45 CO 0.00 0.00 0.00 -1.13 0.64 0.00 0.00 176.34 175.85 1sp4 n SER 46 N 0.49 8.03 -0.84 0.41 3.41 -1.19 -4.87 113.62 119.07 1sp4 n SER 46 Ca 0.34 -2.54 0.00 0.00 -0.26 0.00 0.00 58.87 56.41 1sp4 n SER 46 Cb 0.34 -1.51 0.00 0.00 -0.26 0.00 0.00 64.21 62.78 1sp4 n SER 46 CO 0.00 0.00 0.00 -0.46 -0.16 0.00 0.00 175.04 174.42 1sp4 n ASN 47 N 3.44 -4.53 0.00 4.04 0.23 -1.26 -5.15 115.26 112.03 1sp4 n ASN 47 Ca 0.72 0.98 0.00 0.00 -0.53 0.00 0.00 54.58 55.75 1sp4 n ASN 47 Cb 0.33 -2.23 0.00 0.00 -2.08 0.00 0.00 39.78 35.81 1sp4 n ASN 47 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94