#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2otj s GLU 5 N 0.00 1.06 -0.03 5.56 2.12 -1.26 -2.08 118.70 124.07 2otj s GLU 5 Ca 0.00 -0.36 -0.30 0.00 0.36 0.00 0.00 54.97 54.67 2otj s GLU 5 Cb 0.00 -0.98 -0.07 0.00 0.26 0.00 0.00 34.13 33.34 2otj s GLU 5 CO 0.00 0.15 1.90 0.00 -0.54 0.00 0.00 175.26 176.77 2otj n ASP 7 N 7.96 0.00 0.00 0.00 8.00 -0.57 -1.35 116.55 130.60 2otj n ASP 7 Ca 0.20 -0.03 0.00 0.00 0.71 0.00 0.00 54.79 55.68 2otj n ASP 7 Cb 0.42 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.52 2otj n ASP 7 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2otj n TYR 8 N -0.91 0.00 0.28 1.24 9.36 -1.26 -4.84 117.16 121.02 2otj n TYR 8 Ca 0.00 0.00 0.12 0.00 3.32 0.00 0.00 57.90 61.35 2otj n TYR 8 Cb 0.00 0.00 0.22 0.00 -0.63 0.00 0.00 39.34 38.93 2otj n TYR 8 CO 0.00 0.00 0.00 0.00 0.22 0.00 0.00 176.86 177.08 2otj n GLY 10 N 1.10 1.31 3.84 0.00 0.00 -0.45 -1.41 105.19 109.57 2otj n GLY 10 Ca 0.04 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.76 2otj n GLY 10 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2otj s THR 11 N -2.95 3.81 -0.02 2.61 -4.23 -1.26 -4.51 115.64 109.08 2otj s THR 11 Ca 0.00 0.59 -0.30 0.00 -1.18 0.00 0.00 61.69 60.80 2otj s THR 11 Cb 0.00 -3.43 -0.04 0.00 1.34 0.00 0.00 72.50 70.37 2otj s THR 11 CO 0.00 -0.77 1.23 -1.81 -0.54 0.00 0.00 174.62 172.73 2otj s ASP 12 N -4.01 7.03 -0.40 3.99 1.01 -1.26 -0.68 116.67 122.35 2otj s ASP 12 Ca 0.58 1.91 -0.29 0.00 0.71 0.00 0.00 52.55 55.46 2otj s ASP 12 Cb -0.13 -2.56 0.02 0.00 1.01 0.00 0.00 42.92 41.25 2otj s ASP 12 CO 0.54 -0.57 1.26 -0.63 0.21 0.00 0.00 175.17 175.97 2otj s ILE 13 N 1.94 4.13 -0.13 0.77 1.01 -0.88 -4.88 121.20 123.17 2otj s ILE 13 Ca 0.58 1.20 -0.36 0.00 0.00 0.00 0.00 60.65 62.06 2otj s ILE 13 Cb -0.27 -4.36 -0.13 0.00 0.01 0.00 0.00 42.46 37.71 2otj s ILE 13 CO 0.24 -0.76 1.79 1.21 0.00 0.00 0.00 174.94 177.42 2otj n GLU 14 N 7.70 1.78 -1.65 2.79 4.07 -1.26 -4.54 120.64 129.53 2otj n GLU 14 Ca 0.14 0.65 -0.42 0.00 -0.06 0.00 0.00 57.16 57.47 2otj n GLU 14 Cb 0.48 -2.43 0.00 0.00 -0.06 0.00 0.00 31.44 29.43 2otj n GLU 14 CO 0.00 0.00 0.00 -0.35 -0.06 0.00 0.00 177.13 176.72 2otj n PRO 15 N 5.77 1.72 -2.51 5.31 -0.04 -1.26 -2.61 135.00 141.38 2otj n PRO 15 Ca 0.23 0.61 -0.03 0.00 -0.04 0.00 0.00 63.50 64.27 2otj n PRO 15 Cb 0.23 -2.17 0.01 0.00 -0.04 0.00 0.00 33.50 31.53 2otj n PRO 15 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 2otj n GLY 16 N 0.98 0.61 3.48 0.55 0.00 -1.26 -5.04 105.19 104.51 2otj n GLY 16 Ca 0.07 -0.60 -0.10 0.00 0.00 0.00 0.00 46.02 45.39 2otj n GLY 16 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2otj s THR 17 N -2.82 0.02 0.00 2.61 2.01 -1.07 -5.17 115.64 111.22 2otj s THR 17 Ca 0.06 -0.48 0.00 0.00 0.31 0.00 0.00 61.69 61.58 2otj s THR 17 Cb -0.03 -1.33 0.00 0.00 0.01 0.00 0.00 72.50 71.15 2otj s THR 17 CO 0.08 -0.10 0.00 0.61 -0.69 0.00 0.00 174.62 174.52 2otj n GLY 18 N -0.35 -0.97 3.16 4.40 0.00 -1.26 -4.88 105.19 105.30 2otj n GLY 18 Ca -0.13 -1.65 -0.19 0.00 0.00 0.00 0.00 46.02 44.05 2otj n GLY 18 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2otj s THR 19 N -1.96 1.13 -0.21 2.61 2.01 -0.87 -4.99 115.64 113.37 2otj s THR 19 Ca 0.00 -1.20 -0.01 0.00 0.31 0.00 0.00 61.69 60.80 2otj s THR 19 Cb 0.00 -1.06 0.02 0.00 0.01 0.00 0.00 72.50 71.46 2otj s THR 19 CO 0.00 -0.13 -0.12 -0.32 -0.69 0.00 0.00 174.62 173.36 2otj s MET 20 N -1.51 3.02 -0.26 4.92 1.75 -1.26 -0.06 119.30 125.89 2otj s MET 20 Ca -0.00 -0.84 -0.16 0.00 -1.25 0.00 0.00 55.69 53.44 2otj s MET 20 Cb -0.09 -2.81 -0.03 0.00 2.84 0.00 0.00 34.83 34.74 2otj s MET 20 CO 0.02 -0.27 0.41 0.12 -0.65 0.00 0.00 175.02 174.65 2otj s PHE 21 N 1.34 3.26 -0.52 4.11 5.36 0.25 -4.92 117.98 126.87 2otj s PHE 21 Ca 0.03 0.48 -0.20 0.00 -0.96 0.00 0.00 56.93 56.28 2otj s PHE 21 Cb -0.15 -2.60 0.05 0.00 -0.34 0.00 0.00 43.02 39.98 2otj s PHE 21 CO -0.08 -0.22 0.69 0.08 -1.46 0.00 0.00 175.22 174.23 2otj s VAL 22 N 2.06 4.77 1.18 3.12 1.01 -1.26 -1.62 120.40 129.65 2otj s VAL 22 Ca 0.17 -0.33 -0.13 0.00 0.00 0.00 0.00 61.98 61.69 2otj s VAL 22 Cb -0.16 -4.35 0.29 0.00 0.00 0.00 0.00 36.38 32.16 2otj s VAL 22 CO 0.10 -0.88 1.02 -1.00 0.00 0.00 0.00 175.10 174.34 2otj s HIS 23 N 2.91 1.37 0.07 5.22 0.09 -0.46 -4.92 115.29 119.57 2otj s HIS 23 Ca 0.18 1.13 -0.32 0.00 -0.00 0.00 0.00 55.06 56.05 2otj s HIS 23 Cb -0.18 -3.10 -0.18 0.00 -0.00 0.00 0.00 32.58 29.12 2otj s HIS 23 CO 0.13 -3.91 1.63 -0.22 -0.00 0.00 0.00 174.74 172.37 2otj h LYS 24 N -2.65 -0.82 -0.06 1.40 3.64 -1.97 -2.84 116.57 113.28 2otj h LYS 24 Ca -0.62 0.06 0.02 0.00 -1.27 0.00 0.00 60.65 58.83 2otj h LYS 24 Cb 1.34 0.19 -0.00 0.00 -0.41 0.00 0.00 32.23 33.34 2otj h LYS 24 CO 0.51 -0.55 0.09 0.38 -2.27 0.00 0.00 179.45 177.62 2otj h ASP 25 N -0.85 0.00 0.00 4.20 -0.00 -2.04 -3.45 116.42 114.28 2otj h ASP 25 Ca -0.08 0.00 0.00 0.00 -0.00 0.00 0.00 57.03 56.95 2otj h ASP 25 Cb 0.66 0.00 0.00 0.00 -0.00 0.00 0.00 39.33 39.99 2otj h ASP 25 CO 0.12 0.00 0.00 0.61 -0.00 0.00 0.00 179.24 179.97 2otj n GLY 26 N -1.28 1.42 3.35 7.15 0.00 -1.07 -5.12 105.19 109.64 2otj n GLY 26 Ca -0.02 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.69 2otj n GLY 26 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2otj n ALA 27 N 0.00 -3.52 -3.07 4.61 0.00 -1.26 -4.67 120.51 112.61 2otj n ALA 27 Ca 0.00 -1.13 -0.13 0.00 0.00 0.00 0.00 53.44 52.19 2otj n ALA 27 Cb 0.00 -1.69 -0.14 0.00 0.00 0.00 0.00 19.45 17.62 2otj n ALA 27 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 2otj s THR 28 N -2.31 -0.01 -0.15 0.00 2.01 -1.26 -1.36 115.64 112.56 2otj s THR 28 Ca 0.59 0.05 -0.02 0.00 0.31 0.00 0.00 61.69 62.62 2otj s THR 28 Cb -0.17 -0.04 0.04 0.00 0.01 0.00 0.00 72.50 72.35 2otj s THR 28 CO 0.66 0.02 -0.01 -0.89 -0.69 0.00 0.00 174.62 173.71 2otj s THR 29 N 0.23 0.69 -0.17 -0.82 2.01 -0.64 -4.99 115.64 111.95 2otj s THR 29 Ca -0.02 -0.37 -0.21 0.00 0.31 0.00 0.00 61.69 61.40 2otj s THR 29 Cb -0.03 -0.97 -0.03 0.00 0.01 0.00 0.00 72.50 71.48 2otj s THR 29 CO -0.01 0.06 0.64 -1.00 -0.69 0.00 0.00 174.62 173.62 2otj s HIS 30 N 1.81 3.41 -0.03 4.92 3.76 -1.26 -0.58 115.29 127.32 2otj s HIS 30 Ca 0.02 0.98 0.02 0.00 -0.15 0.00 0.00 55.06 55.93 2otj s HIS 30 Cb -0.15 -2.79 -0.03 0.00 1.11 0.00 0.00 32.58 30.72 2otj s HIS 30 CO -0.07 -0.12 -0.07 -0.06 -0.85 0.00 0.00 174.74 173.57 2otj s PHE 31 N 1.69 2.89 -0.23 1.40 0.40 0.92 -1.51 117.98 123.54 2otj s PHE 31 Ca 0.30 -0.02 0.19 0.00 -0.60 0.00 0.00 56.93 56.80 2otj s PHE 31 Cb -0.16 -1.65 0.05 0.00 0.51 0.00 0.00 43.02 41.77 2otj s PHE 31 CO 0.11 0.34 1.20 0.00 0.70 0.00 0.00 175.22 177.57 2otj s SER 33 N -5.92 -0.21 0.24 0.00 1.04 -1.26 -4.32 113.70 103.27 2otj s SER 33 Ca 0.01 -0.67 -0.03 0.00 0.48 0.00 0.00 55.95 55.74 2otj s SER 33 Cb 0.08 0.72 0.28 0.00 0.10 0.00 0.00 66.02 67.20 2otj s SER 33 CO 0.76 -1.35 1.72 0.77 0.98 0.00 0.00 173.24 176.12 2otj h SER 34 N 2.00 0.79 -0.30 7.02 4.64 -1.99 -2.66 113.55 123.05 2otj h SER 34 Ca -0.22 -0.21 0.07 0.00 -0.47 0.00 0.00 61.79 60.96 2otj h SER 34 Cb 1.25 -0.21 -0.08 0.00 -0.31 0.00 0.00 62.40 63.05 2otj h SER 34 CO 0.26 0.88 -0.27 0.50 -0.87 0.00 0.00 176.83 177.34 2otj h LYS 35 N 0.75 -0.24 0.17 4.77 3.64 -1.99 0.22 116.57 123.90 2otj h LYS 35 Ca 0.14 0.02 -0.01 0.00 -1.27 0.00 0.00 60.65 59.53 2otj h LYS 35 Cb 0.51 0.05 0.00 0.00 -0.41 0.00 0.00 32.23 32.39 2otj h LYS 35 CO 0.03 -0.16 -0.08 0.00 -2.27 0.00 0.00 179.45 176.97 2otj h GLU 37 N -0.37 0.22 -0.26 0.00 5.08 -1.05 -1.01 114.58 117.20 2otj h GLU 37 Ca -0.02 -0.01 -0.19 0.00 -1.00 0.00 0.00 59.36 58.13 2otj h GLU 37 Cb 0.29 -0.05 0.00 0.00 0.50 0.00 0.00 28.75 29.49 2otj h GLU 37 CO 0.04 0.15 -0.60 -0.91 -1.00 0.00 0.00 179.01 176.69 2otj h ASN 38 N 0.23 0.97 -0.40 1.42 2.35 -0.32 -2.58 115.58 117.25 2otj h ASN 38 Ca 0.53 -0.54 -0.08 0.00 -0.55 0.00 0.00 56.30 55.66 2otj h ASN 38 Cb 1.04 -0.28 -0.02 0.00 0.05 0.00 0.00 38.32 39.11 2otj h ASN 38 CO -0.63 1.35 -0.02 0.78 -1.65 0.00 0.00 177.43 177.26 2otj h ASN 39 N 0.64 0.78 -0.42 5.81 4.21 -0.07 -2.55 115.58 123.98 2otj h ASN 39 Ca -0.00 -0.20 -0.01 0.00 1.21 0.00 0.00 56.30 57.30 2otj h ASN 39 Cb 1.21 -0.21 -0.02 0.00 -1.12 0.00 0.00 38.32 38.19 2otj h ASN 39 CO 0.13 0.86 0.22 0.00 -1.29 0.00 0.00 177.43 177.34 2otj h ALA 40 N 1.23 0.54 -0.01 -0.83 0.00 -1.22 -1.89 119.26 117.07 2otj h ALA 40 Ca 0.14 -0.10 0.00 0.00 0.00 0.00 0.00 54.91 54.96 2otj h ALA 40 Cb 0.49 -0.17 -0.00 0.00 0.00 0.00 0.00 17.79 18.11 2otj h ALA 40 CO 0.02 0.08 0.01 -0.44 0.00 0.00 0.00 179.25 178.93 2otj h ASP 41 N 0.54 0.00 0.00 0.00 3.32 -1.11 0.35 116.42 119.52 2otj h ASP 41 Ca 0.15 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.20 2otj h ASP 41 Cb 0.09 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.64 2otj h ASP 41 CO -0.02 0.00 0.00 0.18 -1.72 0.00 0.00 179.24 177.68 2otj n LEU 42 N -3.88 0.00 -0.06 1.55 4.77 -0.73 -4.86 117.00 113.79 2otj n LEU 42 Ca -0.03 0.00 -0.01 0.00 -0.03 0.00 0.00 56.01 55.94 2otj n LEU 42 Cb 0.10 0.00 -0.00 0.00 -2.33 0.00 0.00 43.42 41.18 2otj n LEU 42 CO 0.28 0.00 -0.01 0.61 -1.33 0.00 0.00 177.39 176.94 2otj n GLY 43 N 0.84 0.48 3.82 -0.72 0.00 0.12 -5.02 105.19 104.72 2otj n GLY 43 Ca 0.21 -0.30 -0.34 0.00 0.00 0.00 0.00 46.02 45.60 2otj n GLY 43 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2otj s ARG 44 N -0.86 4.21 -0.16 1.61 0.52 -1.07 -5.04 118.95 118.16 2otj s ARG 44 Ca 0.00 0.98 -0.05 0.00 -0.52 0.00 0.00 55.73 56.14 2otj s ARG 44 Cb 0.00 -2.41 -0.03 0.00 0.52 0.00 0.00 34.95 33.03 2otj s ARG 44 CO 0.00 0.11 0.01 -1.21 0.02 0.00 0.00 175.30 174.23 2otj s GLU 45 N -2.85 3.75 0.42 3.54 2.02 -1.26 -4.42 118.70 119.90 2otj s GLU 45 Ca 0.56 -0.43 0.25 0.00 0.02 0.00 0.00 54.97 55.37 2otj s GLU 45 Cb -0.11 -3.04 1.28 0.00 0.10 0.00 0.00 34.13 32.36 2otj s GLU 45 CO 0.17 0.30 1.70 0.00 0.02 0.00 0.00 175.26 177.44 2otj h ALA 46 N 6.54 2.50 0.00 5.21 0.00 -1.95 -0.06 119.26 131.51 2otj h ALA 46 Ca -0.35 0.09 -0.01 0.00 0.00 0.00 0.00 54.91 54.63 2otj h ALA 46 Cb 1.18 0.12 -0.00 0.00 0.00 0.00 0.00 17.79 19.09 2otj h ALA 46 CO 0.66 -1.02 -0.07 0.07 0.00 0.00 0.00 179.25 178.89 2otj h ARG 47 N 0.23 0.00 0.00 0.00 0.11 -1.92 -2.63 114.38 110.16 2otj h ARG 47 Ca 0.71 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.79 2otj h ARG 47 Cb 2.06 0.00 0.00 0.00 1.11 0.00 0.00 29.97 33.14 2otj h ARG 47 CO -0.36 0.07 -0.39 0.09 0.10 0.00 0.00 179.97 179.48 2otj n ASN 48 N -3.32 0.44 -4.43 0.08 3.02 -0.04 -4.55 115.26 106.47 2otj n ASN 48 Ca -0.01 0.03 -0.43 0.00 -0.03 0.00 0.00 54.58 54.14 2otj n ASN 48 Cb 0.24 0.02 -0.10 0.00 -0.61 0.00 0.00 39.78 39.33 2otj n ASN 48 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 2otj s LEU 49 N -3.31 5.16 0.35 3.41 1.43 -0.99 -4.99 118.68 119.74 2otj s LEU 49 Ca 0.11 -1.02 0.13 0.00 -1.03 0.00 0.00 54.13 52.32 2otj s LEU 49 Cb 0.17 -2.14 0.95 0.00 0.03 0.00 0.00 46.19 45.20 2otj s LEU 49 CO 0.66 -0.48 1.76 -0.33 0.23 0.00 0.00 176.35 178.19 2otj h GLU 50 N 8.62 0.52 0.00 1.70 5.08 -1.84 -1.24 114.58 127.42 2otj h GLU 50 Ca -0.27 -0.03 -0.01 0.00 -1.00 0.00 0.00 59.36 58.05 2otj h GLU 50 Cb 1.11 -0.12 -0.00 0.00 0.50 0.00 0.00 28.75 30.25 2otj h GLU 50 CO 0.75 0.34 -0.05 0.11 -1.00 0.00 0.00 179.01 179.17 2otj h TRP 51 N 0.54 0.00 -3.17 4.33 5.08 -1.94 -3.41 115.95 117.38 2otj h TRP 51 Ca 0.61 0.00 -0.53 0.00 1.08 0.00 0.00 58.89 60.05 2otj h TRP 51 Cb 1.27 0.00 0.03 0.00 -3.00 0.00 0.00 29.16 27.47 2otj h TRP 51 CO -0.00 0.05 0.72 0.99 -1.28 0.00 0.00 178.44 178.91 2otj s THR 52 N -3.93 3.12 0.27 0.12 2.01 -0.47 -4.92 115.64 111.84 2otj s THR 52 Ca -0.02 0.86 -0.01 0.00 0.31 0.00 0.00 61.69 62.84 2otj s THR 52 Cb 0.11 -3.55 0.26 0.00 0.01 0.00 0.00 72.50 69.34 2otj s THR 52 CO 0.53 0.10 1.84 0.44 -0.69 0.00 0.00 174.62 176.84 2otj h ASP 53 N 6.06 0.91 0.23 3.53 5.19 -1.64 -1.71 116.42 129.00 2otj h ASP 53 Ca -0.44 0.04 0.00 0.00 -0.62 0.00 0.00 57.03 56.01 2otj h ASP 53 Cb 1.21 -0.15 -0.03 0.00 0.18 0.00 0.00 39.33 40.54 2otj h ASP 53 CO 0.82 0.52 -0.43 0.74 -3.12 0.00 0.00 179.24 177.77 2otj h THR 54 N 1.01 0.00 -1.01 0.35 2.02 -1.54 -2.26 112.91 111.47 2otj h THR 54 Ca 0.46 0.00 0.23 0.00 0.77 0.00 0.00 66.41 67.87 2otj h THR 54 Cb 0.37 0.00 -0.11 0.00 -1.74 0.00 0.00 68.15 66.68 2otj h THR 54 CO -0.24 0.00 0.63 0.00 0.37 0.00 0.00 175.52 176.28 2otj h ALA 55 N -0.86 1.94 0.00 6.16 0.00 -1.54 -3.48 119.26 121.48 2otj h ALA 55 Ca -0.03 0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.97 2otj h ALA 55 Cb 0.67 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.45 2otj h ALA 55 CO -0.16 -0.35 0.00 0.54 0.00 0.00 0.00 179.25 179.28