#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1mr4 n GLU 2 N 0.00 0.00 -3.60 -0.14 4.07 0.33 -4.66 120.64 116.64 1mr4 n GLU 2 Ca 0.00 0.00 -0.41 0.00 -0.06 0.00 0.00 57.16 56.69 1mr4 n GLU 2 Cb 0.00 0.00 -0.11 0.00 -0.06 0.00 0.00 31.44 31.27 1mr4 n GLU 2 CO 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 177.13 177.07 1mr4 s LYS 4 N 1.54 4.26 -0.16 0.00 1.02 -1.26 -0.68 119.74 124.46 1mr4 s LYS 4 Ca 0.02 0.76 -0.14 0.00 0.02 0.00 0.00 55.97 56.63 1mr4 s LYS 4 Cb -0.20 -3.56 0.05 0.00 -0.52 0.00 0.00 37.83 33.60 1mr4 s LYS 4 CO 0.06 -0.23 0.43 0.99 -0.92 0.00 0.00 175.35 175.68 1mr4 s THR 5 N 1.86 -0.01 0.36 2.17 2.01 -0.55 -5.02 115.64 116.47 1mr4 s THR 5 Ca 0.32 0.02 -0.28 0.00 0.31 0.00 0.00 61.69 62.06 1mr4 s THR 5 Cb -0.16 -0.60 -0.11 0.00 0.01 0.00 0.00 72.50 71.64 1mr4 s THR 5 CO 0.12 0.01 1.47 -0.70 -0.69 0.00 0.00 174.62 174.82 1mr4 s GLU 6 N 0.50 4.14 -0.04 4.92 2.56 -1.26 -1.75 118.70 127.77 1mr4 s GLU 6 Ca -0.02 2.52 -0.30 0.00 0.00 0.00 0.00 54.97 57.17 1mr4 s GLU 6 Cb -0.04 -2.99 -0.05 0.00 2.00 0.00 0.00 34.13 33.05 1mr4 s GLU 6 CO -0.03 -0.49 1.50 0.45 -0.56 0.00 0.00 175.26 176.13 1mr4 s SER 7 N -0.13 6.78 0.03 -1.70 0.15 -0.21 -4.82 113.70 113.79 1mr4 s SER 7 Ca 0.53 2.13 0.01 0.00 0.70 0.00 0.00 55.95 59.31 1mr4 s SER 7 Cb -0.46 -2.55 -0.26 0.00 -1.71 0.00 0.00 66.02 61.05 1mr4 s SER 7 CO 0.60 -0.82 0.94 -1.13 1.20 0.00 0.00 173.24 174.04 1mr4 h ASN 8 N 8.56 0.27 0.33 5.45 -0.73 -1.91 -3.32 115.58 124.24 1mr4 h ASN 8 Ca -0.37 -0.37 -0.11 0.00 1.87 0.00 0.00 56.30 57.32 1mr4 h ASN 8 Cb 1.17 -0.09 -0.01 0.00 0.27 0.00 0.00 38.32 39.66 1mr4 h ASN 8 CO 0.93 1.30 -0.47 0.71 -0.37 0.00 0.00 177.43 179.54 1mr4 h THR 9 N 0.05 1.34 -2.72 -3.57 1.35 -1.90 -3.43 112.91 104.03 1mr4 h THR 9 Ca -0.19 -1.66 -0.54 0.00 -0.55 0.00 0.00 66.41 63.46 1mr4 h THR 9 Cb 1.97 1.81 -0.00 0.00 -1.73 0.00 0.00 68.15 70.19 1mr4 h THR 9 CO 0.15 0.49 1.00 0.12 -0.25 0.00 0.00 175.52 177.02 1mr4 s PHE 10 N -4.00 2.34 0.18 4.73 5.36 -1.25 -4.93 117.98 120.41 1mr4 s PHE 10 Ca -0.04 0.42 -0.13 0.00 -0.96 0.00 0.00 56.93 56.22 1mr4 s PHE 10 Cb 0.13 -3.84 0.12 0.00 -0.34 0.00 0.00 43.02 39.10 1mr4 s PHE 10 CO 0.77 -3.38 1.81 -1.00 -1.46 0.00 0.00 175.22 171.95 1mr4 h PRO 11 N 8.78 0.57 0.00 10.12 0.13 -1.90 -3.48 132.00 146.22 1mr4 h PRO 11 Ca -0.39 -0.03 0.00 0.00 -0.87 0.00 0.00 66.00 64.71 1mr4 h PRO 11 Cb 1.18 -0.13 0.00 0.00 0.13 0.00 0.00 31.00 32.18 1mr4 h PRO 11 CO 0.94 0.38 0.00 0.41 -0.23 0.00 0.00 178.00 179.50 1mr4 n GLY 12 N -1.25 3.75 3.67 1.56 0.00 -1.26 -5.13 105.19 106.53 1mr4 n GLY 12 Ca 0.04 -0.19 -0.45 0.00 0.00 0.00 0.00 46.02 45.42 1mr4 n GLY 12 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 1mr4 n ILE 13 N 0.00 0.68 -2.12 -0.61 -0.00 -1.26 -4.55 119.36 111.50 1mr4 n ILE 13 Ca 0.00 -0.17 -0.43 0.00 -0.00 0.00 0.00 62.75 62.15 1mr4 n ILE 13 Cb 0.00 -1.46 -0.02 0.00 -0.00 0.00 0.00 39.64 38.16 1mr4 n ILE 13 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.55 176.55 1mr4 h ILE 15 N 6.69 0.69 -3.34 0.00 1.08 -1.90 -3.46 117.51 117.27 1mr4 h ILE 15 Ca -0.31 -2.36 -0.01 0.00 -0.39 0.00 0.00 64.86 61.78 1mr4 h ILE 15 Cb 1.15 2.54 -0.09 0.00 -3.07 0.00 0.00 36.82 37.35 1mr4 h ILE 15 CO 1.06 0.88 0.03 0.42 -0.69 0.00 0.00 178.15 179.84 1mr4 s THR 16 N -2.55 0.02 0.00 -0.27 -4.23 -1.26 -5.08 115.64 102.27 1mr4 s THR 16 Ca -0.22 -0.97 -0.25 0.00 -1.18 0.00 0.00 61.69 59.07 1mr4 s THR 16 Cb 0.06 -1.80 -0.19 0.00 1.34 0.00 0.00 72.50 71.91 1mr4 s THR 16 CO 0.78 -0.07 1.35 0.50 -0.54 0.00 0.00 174.62 176.64 1mr4 h LYS 17 N 2.18 -0.03 -0.61 3.99 3.11 -1.95 -3.09 116.57 120.16 1mr4 h LYS 17 Ca -0.26 0.00 0.11 0.00 -2.81 0.00 0.00 60.65 57.69 1mr4 h LYS 17 Cb 1.26 0.01 -0.12 0.00 -1.00 0.00 0.00 32.23 32.38 1mr4 h LYS 17 CO 0.34 0.34 -0.32 -1.35 -2.81 0.00 0.00 179.45 175.65 1mr4 h PRO 18 N -0.42 -0.14 -0.61 1.90 0.11 -1.98 0.73 132.00 131.59 1mr4 h PRO 18 Ca -0.00 0.01 -0.06 0.00 0.11 0.00 0.00 66.00 66.05 1mr4 h PRO 18 Cb 0.39 0.03 -0.02 0.00 0.11 0.00 0.00 31.00 31.51 1mr4 h PRO 18 CO 0.01 -0.09 0.14 -1.35 -0.21 0.00 0.00 178.00 176.50 1mr4 h PRO 19 N -0.14 0.99 -0.52 1.05 0.11 -2.00 -2.92 132.00 128.56 1mr4 h PRO 19 Ca 0.24 -0.24 -0.10 0.00 0.11 0.00 0.00 66.00 66.02 1mr4 h PRO 19 Cb 0.55 -0.13 -0.02 0.00 0.11 0.00 0.00 31.00 31.51 1mr4 h PRO 19 CO -0.69 0.90 -0.06 0.00 -0.21 0.00 0.00 178.00 177.94 1mr4 h ARG 21 N 0.82 -0.52 0.00 0.00 2.43 0.57 -2.42 114.38 115.26 1mr4 h ARG 21 Ca 0.14 0.04 -0.03 0.00 -0.81 0.00 0.00 59.98 59.32 1mr4 h ARG 21 Cb 0.61 0.12 -0.00 0.00 -0.42 0.00 0.00 29.97 30.27 1mr4 h ARG 21 CO 0.04 -0.35 -0.12 1.57 -1.51 0.00 0.00 179.97 179.60 1mr4 h LYS 22 N -0.54 0.00 -0.53 0.20 -0.00 -1.57 -1.02 116.57 113.12 1mr4 h LYS 22 Ca 0.00 0.00 -0.02 0.00 -0.00 0.00 0.00 60.65 60.63 1mr4 h LYS 22 Cb 0.51 0.00 -0.02 0.00 -0.00 0.00 0.00 32.23 32.72 1mr4 h LYS 22 CO -0.08 0.12 0.24 0.00 -0.00 0.00 0.00 179.45 179.73 1mr4 h ALA 23 N 1.88 0.68 -0.30 0.07 0.00 -1.33 0.12 119.26 120.38 1mr4 h ALA 23 Ca -0.00 -0.14 -0.12 0.00 0.00 0.00 0.00 54.91 54.66 1mr4 h ALA 23 Cb 0.25 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 17.82 1mr4 h ALA 23 CO 0.02 0.26 -0.30 0.00 0.00 0.00 0.00 179.25 179.23 1mr4 h ILE 25 N 0.54 1.25 -0.01 0.00 2.04 -0.61 -2.57 117.51 118.16 1mr4 h ILE 25 Ca 0.07 -0.98 -0.07 0.00 1.00 0.00 0.00 64.86 64.88 1mr4 h ILE 25 Cb 0.78 0.92 -0.01 0.00 -0.74 0.00 0.00 36.82 37.77 1mr4 h ILE 25 CO 0.06 0.35 -0.30 0.77 0.00 0.00 0.00 178.15 179.03 1mr4 h SER 26 N 0.71 0.02 -0.19 1.72 4.64 -0.68 -3.44 113.55 116.33 1mr4 h SER 26 Ca 0.15 -0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.46 1mr4 h SER 26 Cb 0.43 -0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.52 1mr4 h SER 26 CO 0.01 0.32 0.00 1.21 -0.87 0.00 0.00 176.83 177.51 1mr4 n GLU 27 N -4.17 2.74 -2.42 4.77 0.00 -0.97 -4.97 120.64 115.60 1mr4 n GLU 27 Ca -0.02 0.00 -0.38 0.00 0.00 0.00 0.00 57.16 56.76 1mr4 n GLU 27 Cb 0.35 0.00 0.02 0.00 0.00 0.00 0.00 31.44 31.81 1mr4 n GLU 27 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.13 178.76 1mr4 n LYS 28 N 0.00 4.17 0.00 5.31 5.02 -1.25 -4.87 118.16 126.54 1mr4 n LYS 28 Ca 0.00 -4.30 0.00 0.00 -2.02 0.00 0.00 58.31 51.99 1mr4 n LYS 28 Cb 0.00 -2.36 0.00 0.00 -0.02 0.00 0.00 35.03 32.65 1mr4 n LYS 28 CO 0.00 0.00 0.00 1.19 -0.52 0.00 0.00 177.40 178.07 1mr4 n PHE 29 N -0.27 0.00 0.00 2.13 3.01 -1.01 -4.48 117.46 116.84 1mr4 n PHE 29 Ca 0.47 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.93 1mr4 n PHE 29 Cb 0.29 0.00 0.00 0.00 -0.01 0.00 0.00 39.48 39.76 1mr4 n PHE 29 CO 0.00 0.00 0.00 -2.37 1.01 0.00 0.00 176.76 175.40 1mr4 n THR 30 N 0.00 0.00 -3.82 4.37 5.66 -0.99 -4.31 114.28 115.19 1mr4 n THR 30 Ca 0.00 0.00 -0.09 0.00 -3.05 0.00 0.00 64.05 60.91 1mr4 n THR 30 Cb 0.00 0.00 -0.07 0.00 -1.55 0.00 0.00 70.33 68.71 1mr4 n THR 30 CO 0.00 0.00 0.00 -0.62 -3.05 0.00 0.00 175.07 171.40 1mr4 s ASP 31 N -0.40 0.06 0.21 1.09 2.15 -1.10 -4.58 116.67 114.10 1mr4 s ASP 31 Ca 0.00 -0.56 -0.14 0.00 0.43 0.00 0.00 52.55 52.28 1mr4 s ASP 31 Cb 0.00 0.35 0.01 0.00 -0.30 0.00 0.00 42.92 42.98 1mr4 s ASP 31 CO 0.00 -0.72 0.47 -0.83 -0.17 0.00 0.00 175.17 173.92 1mr4 s GLY 32 N -2.73 0.21 0.24 2.66 0.00 -1.26 0.07 107.32 106.51 1mr4 s GLY 32 Ca 0.03 -0.56 -0.21 0.00 0.00 0.00 0.00 44.72 43.98 1mr4 s GLY 32 CO -0.10 -0.48 0.91 -2.38 0.00 0.00 0.00 173.10 171.04 1mr4 s HIS 33 N -3.94 -0.02 -0.14 1.90 -3.43 -0.48 -4.26 115.29 104.93 1mr4 s HIS 33 Ca 0.15 -0.43 -0.24 0.00 -0.80 0.00 0.00 55.06 53.74 1mr4 s HIS 33 Cb -0.00 0.72 -0.02 0.00 -1.43 0.00 0.00 32.58 31.84 1mr4 s HIS 33 CO 0.02 -1.10 0.75 0.00 -2.00 0.00 0.00 174.74 172.41 1mr4 s SER 35 N 1.05 6.78 0.00 0.00 0.15 -0.57 -4.84 113.70 116.26 1mr4 s SER 35 Ca 0.37 2.17 -0.04 0.00 0.70 0.00 0.00 55.95 59.15 1mr4 s SER 35 Cb -0.17 -2.55 -0.18 0.00 -1.71 0.00 0.00 66.02 61.41 1mr4 s SER 35 CO 0.14 -0.79 2.85 2.29 1.20 0.00 0.00 173.24 178.94 1mr4 n LYS 36 N 5.78 1.52 0.00 5.44 2.85 -1.26 -2.82 118.16 129.67 1mr4 n LYS 36 Ca 0.14 -0.66 0.00 0.00 -1.05 0.00 0.00 58.31 56.74 1mr4 n LYS 36 Cb 0.43 -1.73 0.00 0.00 -0.65 0.00 0.00 35.03 33.08 1mr4 n LYS 36 CO 0.00 0.00 0.00 -0.89 -0.05 0.00 0.00 177.40 176.46 1mr4 n ILE 37 N 2.33 0.00 0.00 0.58 2.08 -1.26 -5.11 119.36 117.99 1mr4 n ILE 37 Ca 0.28 0.00 0.00 0.00 0.56 0.00 0.00 62.75 63.59 1mr4 n ILE 37 Cb 0.71 -0.20 0.00 0.00 -0.75 0.00 0.00 39.64 39.40 1mr4 n ILE 37 CO 0.00 0.00 0.00 0.18 0.56 0.00 0.00 176.55 177.29 1mr4 n LEU 38 N -1.86 0.00 -2.69 1.39 4.77 -1.13 -5.09 117.00 112.39 1mr4 n LEU 38 Ca 0.00 0.00 -0.07 0.00 -0.03 0.00 0.00 56.01 55.91 1mr4 n LEU 38 Cb 0.15 0.00 0.08 0.00 -2.33 0.00 0.00 43.42 41.32 1mr4 n LEU 38 CO 0.00 0.00 0.25 -2.11 -1.33 0.00 0.00 177.39 174.20 1mr4 n ARG 39 N 0.00 1.21 -4.45 3.23 1.85 -1.26 -4.85 116.66 112.40 1mr4 n ARG 39 Ca 0.00 -2.43 -0.23 0.00 -1.00 0.00 0.00 57.85 54.20 1mr4 n ARG 39 Cb 0.00 -0.56 -0.10 0.00 -1.05 0.00 0.00 32.46 30.75 1mr4 n ARG 39 CO 0.00 0.00 0.00 1.03 -0.01 0.00 0.00 177.63 178.65 1mr4 s ARG 40 N -1.30 1.61 -0.81 2.89 1.81 -1.26 -0.60 118.95 121.30 1mr4 s ARG 40 Ca 0.23 -1.74 -0.26 0.00 -1.72 0.00 0.00 55.73 52.24 1mr4 s ARG 40 Cb 0.42 -1.62 0.04 0.00 -0.45 0.00 0.00 34.95 33.34 1mr4 s ARG 40 CO -0.04 0.29 1.31 0.00 -0.68 0.00 0.00 175.30 176.18 1mr4 s LEU 42 N 5.49 3.43 0.18 0.00 2.96 0.23 -1.04 118.68 129.93 1mr4 s LEU 42 Ca 0.37 -0.08 -0.16 0.00 -0.22 0.00 0.00 54.13 54.05 1mr4 s LEU 42 Cb -0.06 -2.98 -0.07 0.00 0.50 0.00 0.00 46.19 43.57 1mr4 s LEU 42 CO 0.08 -1.56 0.62 0.00 -1.32 0.00 0.00 176.35 174.17 1mr4 s THR 44 N -1.53 2.34 0.34 0.00 -4.23 0.11 -1.49 115.64 111.19 1mr4 s THR 44 Ca 0.41 -1.04 0.08 0.00 -1.18 0.00 0.00 61.69 59.95 1mr4 s THR 44 Cb -0.15 -2.10 -0.03 0.00 1.34 0.00 0.00 72.50 71.55 1mr4 s THR 44 CO 0.20 0.36 0.25 -1.59 -0.54 0.00 0.00 174.62 173.31 1mr4 s LYS 45 N 1.28 2.62 0.21 3.99 -2.85 0.14 -2.34 119.74 122.80 1mr4 s LYS 45 Ca 0.02 -1.37 -0.31 0.00 -1.00 0.00 0.00 55.97 53.30 1mr4 s LYS 45 Cb -0.15 -2.39 -0.11 0.00 -2.06 0.00 0.00 37.83 33.12 1mr4 s LYS 45 CO -0.09 0.09 1.58 -2.14 0.10 0.00 0.00 175.35 174.89 1mr4 s PRO 46 N -3.96 4.19 0.00 1.78 0.02 -1.26 -0.51 135.00 135.26 1mr4 s PRO 46 Ca 0.40 2.44 0.00 0.00 0.02 0.00 0.00 61.00 63.86 1mr4 s PRO 46 Cb -0.05 -3.11 0.00 0.00 0.02 0.00 0.00 34.50 31.37 1mr4 s PRO 46 CO 0.26 -0.61 0.00 0.00 -0.33 0.00 0.00 177.00 176.32