#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2otj s GLY 2 N 0.00 2.83 0.01 3.41 0.00 -1.26 -4.90 107.32 107.41 2otj s GLY 2 Ca 0.00 1.08 0.28 0.00 0.00 0.00 0.00 44.72 46.08 2otj s GLY 2 CO 0.00 1.58 1.78 0.00 0.00 0.00 0.00 173.10 176.46 2otj n ALA 3 N -0.52 2.64 -1.29 3.20 0.00 -1.26 -3.32 120.51 119.96 2otj n ALA 3 Ca 0.07 -0.16 0.00 0.00 0.00 0.00 0.00 53.44 53.35 2otj n ALA 3 Cb 0.47 -1.38 0.00 0.00 0.00 0.00 0.00 19.45 18.54 2otj n ALA 3 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2otj n GLY 4 N 1.49 0.75 0.26 0.00 0.00 -1.26 -4.49 105.19 101.94 2otj n GLY 4 Ca 0.06 0.00 0.01 0.00 0.00 0.00 0.00 46.02 46.10 2otj n GLY 4 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 2otj h THR 5 N 0.00 0.33 -0.10 2.61 2.02 -2.01 -0.91 112.91 114.84 2otj h THR 5 Ca 0.00 -0.01 -0.02 0.00 0.77 0.00 0.00 66.41 67.15 2otj h THR 5 Cb 0.00 0.30 -0.01 0.00 -1.74 0.00 0.00 68.15 66.70 2otj h THR 5 CO 0.00 0.00 -0.02 1.55 0.37 0.00 0.00 175.52 177.42 2otj h PRO 6 N 0.02 0.14 -0.03 6.66 0.13 -1.90 -2.03 132.00 134.99 2otj h PRO 6 Ca 0.34 -0.02 0.00 0.00 -0.87 0.00 0.00 66.00 65.46 2otj h PRO 6 Cb 0.55 -0.03 0.00 0.00 0.13 0.00 0.00 31.00 31.65 2otj h PRO 6 CO -0.69 0.18 0.00 0.43 -0.23 0.00 0.00 178.00 177.69 2otj n SER 7 N -4.43 0.48 0.09 1.44 7.64 -0.36 -3.58 113.62 114.90 2otj n SER 7 Ca -0.01 -1.38 0.05 0.00 1.01 0.00 0.00 58.87 58.54 2otj n SER 7 Cb 0.16 -0.02 -0.02 0.00 -1.01 0.00 0.00 64.21 63.32 2otj n SER 7 CO 0.00 0.00 0.00 1.56 -3.01 0.00 0.00 175.04 173.59 2otj h GLN 8 N 0.67 0.00 0.00 1.43 1.08 -1.23 -3.37 115.11 113.69 2otj h GLN 8 Ca 0.00 0.00 -0.00 0.00 -1.45 0.00 0.00 58.65 57.20 2otj h GLN 8 Cb 0.15 0.00 -0.00 0.00 -0.05 0.00 0.00 27.48 27.58 2otj h GLN 8 CO 0.00 0.22 -0.01 0.78 -0.95 0.00 0.00 178.83 178.86 2otj h GLY 9 N 3.78 0.00 0.16 3.46 0.00 -1.68 -2.60 103.07 106.18 2otj h GLY 9 Ca -0.07 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.26 2otj h GLY 9 CO 0.03 0.00 -0.01 0.28 0.00 0.00 0.00 176.54 176.84 2otj n LYS 10 N -3.14 1.36 -2.24 4.80 5.02 -1.26 -4.67 118.16 118.03 2otj n LYS 10 Ca -0.01 -0.56 -0.42 0.00 -2.02 0.00 0.00 58.31 55.29 2otj n LYS 10 Cb 0.22 -1.49 -0.00 0.00 -0.02 0.00 0.00 35.03 33.74 2otj n LYS 10 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 2otj n LYS 11 N -0.33 3.04 -0.21 1.97 5.02 -0.98 -4.48 118.16 122.19 2otj n LYS 11 Ca 0.21 -3.00 0.05 0.00 -2.02 0.00 0.00 58.31 53.54 2otj n LYS 11 Cb 0.26 -3.42 0.07 0.00 -0.02 0.00 0.00 35.03 31.92 2otj n LYS 11 CO 0.00 0.00 0.00 0.27 -0.52 0.00 0.00 177.40 177.15 2otj n ASN 12 N 7.59 1.33 -4.82 4.39 6.94 -1.26 -5.05 115.26 124.38 2otj n ASN 12 Ca 0.50 -2.47 -0.37 0.00 -0.02 0.00 0.00 54.58 52.22 2otj n ASN 12 Cb 0.43 -0.28 -0.06 0.00 -2.36 0.00 0.00 39.78 37.51 2otj n ASN 12 CO 0.00 0.00 0.00 -0.89 -1.03 0.00 0.00 177.26 175.34 2otj s THR 13 N -1.50 4.73 -0.22 5.53 2.01 -1.26 -5.07 115.64 119.85 2otj s THR 13 Ca 0.16 1.14 -0.10 0.00 0.31 0.00 0.00 61.69 63.20 2otj s THR 13 Cb 0.14 -3.86 -0.05 0.00 0.01 0.00 0.00 72.50 68.74 2otj s THR 13 CO 0.01 0.42 0.13 -0.89 -0.69 0.00 0.00 174.62 173.60 2otj s THR 14 N -1.27 5.20 0.00 -0.82 2.01 -1.26 -4.98 115.64 114.53 2otj s THR 14 Ca 0.34 0.12 0.00 0.00 0.31 0.00 0.00 61.69 62.46 2otj s THR 14 Cb -0.18 -3.40 0.00 0.00 0.01 0.00 0.00 72.50 68.93 2otj s THR 14 CO 0.20 0.38 0.00 0.35 -0.69 0.00 0.00 174.62 174.86 2otj n THR 15 N 4.04 0.00 -2.38 -0.82 -2.24 -1.26 -4.77 114.28 106.85 2otj n THR 15 Ca -0.16 0.00 -0.42 0.00 -2.27 0.00 0.00 64.05 61.20 2otj n THR 15 Cb 0.52 -0.48 -0.03 0.00 -2.10 0.00 0.00 70.33 68.24 2otj n THR 15 CO 0.00 0.00 0.00 -1.00 -0.57 0.00 0.00 175.07 173.50 2otj s HIS 16 N -0.19 3.17 0.20 4.78 3.76 -1.26 0.13 115.29 125.88 2otj s HIS 16 Ca 0.00 1.12 0.02 0.00 -0.15 0.00 0.00 55.06 56.05 2otj s HIS 16 Cb 0.00 -3.49 -0.05 0.00 1.11 0.00 0.00 32.58 30.15 2otj s HIS 16 CO 0.00 -1.64 0.03 0.95 -0.85 0.00 0.00 174.74 173.23 2otj s THR 17 N 1.93 0.67 -0.04 1.30 -4.23 0.18 -4.80 115.64 110.65 2otj s THR 17 Ca 0.59 -1.99 -0.36 0.00 -1.18 0.00 0.00 61.69 58.75 2otj s THR 17 Cb -0.28 -2.30 -0.14 0.00 1.34 0.00 0.00 72.50 71.12 2otj s THR 17 CO 0.25 -0.31 1.64 1.17 -0.54 0.00 0.00 174.62 176.83 2otj n LYS 18 N -0.32 1.65 -2.93 3.99 3.00 -1.26 0.07 118.16 122.37 2otj n LYS 18 Ca -0.04 0.60 -0.41 0.00 -0.00 0.00 0.00 58.31 58.46 2otj n LYS 18 Cb 0.64 -2.34 -0.04 0.00 0.00 0.00 0.00 35.03 33.29 2otj n LYS 18 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 2otj h ARG 20 N 6.82 0.70 0.00 0.00 2.43 -1.91 -0.99 114.38 121.44 2otj h ARG 20 Ca -0.40 -0.04 -0.02 0.00 -0.81 0.00 0.00 59.98 58.71 2otj h ARG 20 Cb 1.20 -0.16 -0.00 0.00 -0.42 0.00 0.00 29.97 30.59 2otj h ARG 20 CO 0.76 0.46 -0.21 -0.09 -1.51 0.00 0.00 179.97 179.38 2otj h ARG 21 N 0.72 0.00 0.00 0.20 2.43 -1.97 -3.41 114.38 112.34 2otj h ARG 21 Ca 0.46 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.63 2otj h ARG 21 Cb 0.71 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.26 2otj h ARG 21 CO -0.21 0.30 -1.30 0.00 -1.51 0.00 0.00 179.97 177.25 2otj n GLY 23 N 1.39 1.58 3.82 0.00 0.00 -0.37 -4.99 105.19 106.62 2otj n GLY 23 Ca 0.01 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.69 2otj n GLY 23 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2otj s GLU 24 N -0.29 4.20 -1.45 1.61 0.41 -1.26 -4.46 118.70 117.46 2otj s GLU 24 Ca 0.00 0.91 -0.13 0.00 -0.41 0.00 0.00 54.97 55.35 2otj s GLU 24 Cb 0.00 -2.54 -0.02 0.00 -1.78 0.00 0.00 34.13 29.79 2otj s GLU 24 CO 0.00 0.19 2.45 1.17 -0.49 0.00 0.00 175.26 178.58 2otj n LYS 25 N -0.03 3.01 -0.09 1.61 4.81 -1.26 -0.03 118.16 126.17 2otj n LYS 25 Ca 0.03 -2.36 0.01 0.00 -0.87 0.00 0.00 58.31 55.11 2otj n LYS 25 Cb 0.52 -3.06 0.01 0.00 0.02 0.00 0.00 35.03 32.52 2otj n LYS 25 CO 0.00 0.00 0.00 0.43 1.17 0.00 0.00 177.40 179.00 2otj n SER 26 N 5.26 0.59 -4.52 3.14 7.64 -0.86 -4.31 113.62 120.56 2otj n SER 26 Ca 0.61 -1.53 -0.42 0.00 1.01 0.00 0.00 58.87 58.53 2otj n SER 26 Cb 0.33 -0.06 -0.03 0.00 -1.01 0.00 0.00 64.21 63.43 2otj n SER 26 CO 0.00 0.00 0.00 -0.47 -3.01 0.00 0.00 175.04 171.56 2otj s TYR 27 N -0.41 2.59 -0.52 1.43 5.04 0.11 -0.65 117.35 124.94 2otj s TYR 27 Ca 0.02 -0.07 -0.27 0.00 -2.44 0.00 0.00 57.07 54.31 2otj s TYR 27 Cb 0.02 -4.36 -0.02 0.00 0.35 0.00 0.00 41.96 37.95 2otj s TYR 27 CO 0.00 -1.67 1.79 -1.58 -1.34 0.00 0.00 175.55 172.76 2otj s HIS 28 N 4.65 1.78 -0.95 4.97 5.65 -0.67 0.51 115.29 131.24 2otj s HIS 28 Ca 0.32 0.72 0.05 0.00 0.25 0.00 0.00 55.06 56.40 2otj s HIS 28 Cb -0.11 -4.13 0.25 0.00 -1.18 0.00 0.00 32.58 27.40 2otj s HIS 28 CO 0.17 -2.45 1.17 -2.37 -0.65 0.00 0.00 174.74 170.62 2otj n THR 29 N 7.24 1.66 -0.08 0.89 5.66 0.12 0.18 114.28 129.96 2otj n THR 29 Ca 0.20 0.44 -0.15 0.00 -3.05 0.00 0.00 64.05 61.50 2otj n THR 29 Cb 0.50 -1.37 -0.14 0.00 -1.55 0.00 0.00 70.33 67.77 2otj n THR 29 CO 0.00 0.00 0.00 0.29 -3.05 0.00 0.00 175.07 172.31 2otj n LYS 30 N -1.56 0.68 0.10 1.09 5.02 -1.26 -4.35 118.16 117.88 2otj n LYS 30 Ca 0.01 0.14 0.11 0.00 -2.02 0.00 0.00 58.31 56.55 2otj n LYS 30 Cb 0.05 -1.59 -0.01 0.00 -0.02 0.00 0.00 35.03 33.46 2otj n LYS 30 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 2otj n LYS 31 N -3.10 0.61 -3.25 1.97 5.02 -0.77 -4.96 118.16 113.68 2otj n LYS 31 Ca -0.35 0.10 -0.23 0.00 -2.02 0.00 0.00 58.31 55.81 2otj n LYS 31 Cb 1.06 -1.81 0.05 0.00 -0.02 0.00 0.00 35.03 34.31 2otj n LYS 31 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 2otj n LYS 32 N -2.65 -5.72 -4.17 1.97 4.76 0.49 -4.99 118.16 107.85 2otj n LYS 32 Ca -0.00 0.84 -0.18 0.00 -2.87 0.00 0.00 58.31 56.10 2otj n LYS 32 Cb 0.55 -5.76 -0.16 0.00 -1.84 0.00 0.00 35.03 27.83 2otj n LYS 32 CO 0.00 0.00 0.00 0.08 -1.37 0.00 0.00 177.40 176.11 2otj s VAL 33 N -3.21 0.48 -0.10 -0.18 1.01 -1.21 -4.46 120.40 112.74 2otj s VAL 33 Ca 0.41 -0.16 -0.24 0.00 0.00 0.00 0.00 61.98 61.99 2otj s VAL 33 Cb -0.19 -0.47 -0.03 0.00 0.00 0.00 0.00 36.38 35.69 2otj s VAL 33 CO 0.51 0.18 0.73 0.00 0.00 0.00 0.00 175.10 176.52 2otj h SER 35 N 6.95 0.00 0.00 0.00 4.64 -1.22 -2.31 113.55 121.61 2otj h SER 35 Ca -0.38 0.00 -0.12 0.00 -0.47 0.00 0.00 61.79 60.83 2otj h SER 35 Cb 1.18 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 63.25 2otj h SER 35 CO 0.77 0.00 -1.06 -0.24 -0.87 0.00 0.00 176.83 175.43 2otj n SER 36 N -2.56 1.87 -0.25 4.97 2.88 -1.26 -4.70 113.62 114.57 2otj n SER 36 Ca 0.04 0.48 0.11 0.00 -1.33 0.00 0.00 58.87 58.18 2otj n SER 36 Cb 0.43 -0.86 0.01 0.00 -0.75 0.00 0.00 64.21 63.04 2otj n SER 36 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 2otj n GLY 38 N 1.45 0.77 3.67 0.00 0.00 -0.87 0.04 105.19 110.26 2otj n GLY 38 Ca 0.07 0.00 -0.45 0.00 0.00 0.00 0.00 46.02 45.64 2otj n GLY 38 CO 0.00 0.00 0.00 0.33 0.00 0.00 0.00 173.32 173.65 2otj n PHE 39 N -2.40 2.30 0.00 1.61 7.35 -1.26 -0.53 117.46 124.53 2otj n PHE 39 Ca 0.00 0.28 0.00 0.00 -0.76 0.00 0.00 57.45 56.97 2otj n PHE 39 Cb 0.00 -2.54 0.00 0.00 0.35 0.00 0.00 39.48 37.29 2otj n PHE 39 CO 0.00 0.00 0.00 0.41 -0.76 0.00 0.00 176.76 176.41 2otj n GLY 40 N 3.20 3.41 0.22 7.13 0.00 -1.26 0.12 105.19 118.01 2otj n GLY 40 Ca 0.16 0.00 -0.07 0.00 0.00 0.00 0.00 46.02 46.11 2otj n GLY 40 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 2otj n LYS 41 N -1.80 0.21 -4.58 1.61 4.81 -0.31 -4.85 118.16 113.25 2otj n LYS 41 Ca 0.00 0.06 -0.22 0.00 -0.87 0.00 0.00 58.31 57.28 2otj n LYS 41 Cb 0.00 -1.08 -0.15 0.00 0.02 0.00 0.00 35.03 33.82 2otj n LYS 41 CO 0.00 0.00 0.00 0.45 1.17 0.00 0.00 177.40 179.02 2otj s SER 42 N -5.08 1.55 0.17 3.14 0.15 0.31 -5.00 113.70 108.93 2otj s SER 42 Ca -0.12 -0.24 -0.10 0.00 0.70 0.00 0.00 55.95 56.19 2otj s SER 42 Cb 0.03 -0.26 0.03 0.00 -1.71 0.00 0.00 66.02 64.11 2otj s SER 42 CO 0.19 0.14 1.57 0.00 1.20 0.00 0.00 173.24 176.33 2otj h ALA 43 N 6.00 0.72 -2.28 5.45 0.00 -1.97 -3.40 119.26 123.79 2otj h ALA 43 Ca -0.33 -0.38 -0.48 0.00 0.00 0.00 0.00 54.91 53.71 2otj h ALA 43 Cb 1.17 -0.17 0.04 0.00 0.00 0.00 0.00 17.79 18.82 2otj h ALA 43 CO 0.49 0.67 0.38 0.15 0.00 0.00 0.00 179.25 180.94 2otj s LYS 44 N -4.71 3.65 0.08 0.00 1.02 -1.26 -5.00 119.74 113.51 2otj s LYS 44 Ca -0.11 1.13 -0.30 0.00 0.02 0.00 0.00 55.97 56.70 2otj s LYS 44 Cb 0.12 -2.08 -0.06 0.00 -0.52 0.00 0.00 37.83 35.29 2otj s LYS 44 CO 0.87 -0.53 1.18 1.03 -0.92 0.00 0.00 175.35 176.98 2otj s ARG 45 N -3.93 4.46 0.05 1.68 1.81 -1.26 -4.82 118.95 116.93 2otj s ARG 45 Ca 0.62 1.76 -0.30 0.00 -1.72 0.00 0.00 55.73 56.09 2otj s ARG 45 Cb -0.13 -3.33 -0.09 0.00 -0.45 0.00 0.00 34.95 30.94 2otj s ARG 45 CO 0.32 -0.21 1.82 0.50 -0.68 0.00 0.00 175.30 177.05 2otj s ARG 46 N 0.82 4.16 -0.29 3.54 3.52 0.11 -4.94 118.95 125.86 2otj s ARG 46 Ca 0.57 2.48 -0.14 0.00 -0.13 0.00 0.00 55.73 58.51 2otj s ARG 46 Cb -0.29 -3.88 0.12 0.00 -1.56 0.00 0.00 34.95 29.34 2otj s ARG 46 CO 0.30 -0.87 0.80 0.34 -0.81 0.00 0.00 175.30 175.07 2otj s ASP 47 N 3.42 -0.83 0.23 -2.12 -1.08 -1.26 -4.74 116.67 110.30 2otj s ASP 47 Ca 0.81 1.23 0.11 0.00 -0.52 0.00 0.00 52.55 54.18 2otj s ASP 47 Cb -0.41 1.64 -0.05 0.00 -1.46 0.00 0.00 42.92 42.64 2otj s ASP 47 CO 0.36 -0.18 -0.21 -0.31 0.52 0.00 0.00 175.17 175.35 2otj s TYR 48 N 2.06 2.20 0.02 -5.34 1.51 -1.26 -5.05 117.35 111.49 2otj s TYR 48 Ca -0.07 -0.37 0.20 0.00 -1.01 0.00 0.00 57.07 55.81 2otj s TYR 48 Cb -0.07 -1.02 0.58 0.00 -0.11 0.00 0.00 41.96 41.35 2otj s TYR 48 CO -0.18 0.57 1.68 0.93 -1.11 0.00 0.00 175.55 177.44 2otj h GLU 49 N 2.73 0.00 0.00 -0.62 4.39 -2.01 -3.10 114.58 115.97 2otj h GLU 49 Ca -0.42 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.28 2otj h GLU 49 Cb 1.23 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.88 2otj h GLU 49 CO 0.55 0.33 0.00 -2.67 -1.16 0.00 0.00 179.01 176.06 2otj n TRP 50 N -3.35 0.00 1.86 4.33 4.27 -1.26 -2.81 117.44 120.48 2otj n TRP 50 Ca 0.01 0.00 0.08 0.00 -3.89 0.00 0.00 57.50 53.70 2otj n TRP 50 Cb 0.54 0.00 0.43 0.00 -1.36 0.00 0.00 31.31 30.92 2otj n TRP 50 CO 0.00 0.00 0.00 1.04 -2.29 0.00 0.00 177.69 176.44 2otj n GLN 51 N -0.79 1.12 -3.54 -2.67 6.02 -1.17 -4.80 117.38 111.55 2otj n GLN 51 Ca 0.10 -0.18 -0.11 0.00 -0.01 0.00 0.00 57.00 56.80 2otj n GLN 51 Cb 0.05 -1.26 -0.04 0.00 1.02 0.00 0.00 30.24 30.01 2otj n GLN 51 CO 0.00 0.00 0.00 -1.54 -1.01 0.00 0.00 177.06 174.51 2otj s SER 52 N -1.47 -0.39 0.41 1.08 1.04 -1.12 -5.12 113.70 108.13 2otj s SER 52 Ca 0.24 -0.14 -0.25 0.00 0.48 0.00 0.00 55.95 56.27 2otj s SER 52 Cb 0.11 0.53 -0.10 0.00 0.10 0.00 0.00 66.02 66.66 2otj s SER 52 CO 0.19 -0.89 1.22 0.29 0.98 0.00 0.00 173.24 175.03 2otj n LYS 53 N -0.23 1.82 -0.27 4.02 4.76 -1.26 -4.88 118.16 122.13 2otj n LYS 53 Ca -0.17 0.65 0.08 0.00 -2.87 0.00 0.00 58.31 56.00 2otj n LYS 53 Cb 0.64 -2.31 0.22 0.00 -1.84 0.00 0.00 35.03 31.74 2otj n LYS 53 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 2otj h ALA 54 N 2.01 1.09 -0.63 7.82 0.00 -1.97 -1.72 119.26 125.87 2otj h ALA 54 Ca -0.47 0.17 -0.48 0.00 0.00 0.00 0.00 54.91 54.13 2otj h ALA 54 Cb 1.30 0.22 -0.19 0.00 0.00 0.00 0.00 17.79 19.12 2otj h ALA 54 CO 0.59 -0.34 0.54 0.41 0.00 0.00 0.00 179.25 180.46 2otj n GLY 55 N -1.35 4.61 0.00 0.00 0.00 -1.26 -5.14 105.19 102.04 2otj n GLY 55 Ca 0.17 -1.68 0.00 0.00 0.00 0.00 0.00 46.02 44.51 2otj n GLY 55 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11