#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 -3.37 -3.03 2.89 -0.58 0.21 -4.68 120.64 112.08 1mr4 n GLU 2 Ca 0.00 0.59 -0.39 0.00 -0.42 0.00 0.00 57.16 56.93 1mr4 n GLU 2 Cb 0.00 -4.68 -0.06 0.00 -0.57 0.00 0.00 31.44 26.14 1mr4 n GLU 2 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 1mr4 s LYS 4 N -0.58 4.12 -0.16 0.00 -0.14 -1.26 -1.13 119.74 120.58 1mr4 s LYS 4 Ca 0.36 0.67 -0.09 0.00 -1.36 0.00 0.00 55.97 55.54 1mr4 s LYS 4 Cb -0.21 -3.66 0.06 0.00 -1.68 0.00 0.00 37.83 32.34 1mr4 s LYS 4 CO 0.23 -0.47 0.39 0.99 -0.76 0.00 0.00 175.35 175.74 1mr4 s THR 5 N 2.64 -0.03 0.49 2.17 2.01 -0.23 -5.00 115.64 117.69 1mr4 s THR 5 Ca 0.29 0.10 -0.22 0.00 0.31 0.00 0.00 61.69 62.16 1mr4 s THR 5 Cb -0.15 -0.58 -0.06 0.00 0.01 0.00 0.00 72.50 71.71 1mr4 s THR 5 CO 0.08 0.04 1.24 -1.83 -0.69 0.00 0.00 174.62 173.46 1mr4 s GLU 6 N 1.35 3.53 -0.24 4.92 -1.05 -1.26 -0.81 118.70 125.14 1mr4 s GLU 6 Ca -0.09 1.95 -0.29 0.00 -0.15 0.00 0.00 54.97 56.39 1mr4 s GLU 6 Cb -0.08 -2.35 -0.02 0.00 -0.44 0.00 0.00 34.13 31.23 1mr4 s GLU 6 CO -0.12 -0.79 1.56 0.45 0.95 0.00 0.00 175.26 177.31 1mr4 s SER 7 N -1.20 6.42 0.36 0.83 0.15 0.17 -4.77 113.70 115.66 1mr4 s SER 7 Ca 0.67 1.54 0.18 0.00 0.70 0.00 0.00 55.95 59.04 1mr4 s SER 7 Cb -0.33 -2.53 0.60 0.00 -1.71 0.00 0.00 66.02 62.04 1mr4 s SER 7 CO 0.40 -1.23 1.69 -0.55 1.20 0.00 0.00 173.24 174.74 1mr4 h ASN 8 N 10.51 0.00 0.11 5.45 -1.07 -1.91 -2.93 115.58 125.74 1mr4 h ASN 8 Ca -0.32 0.00 -0.15 0.00 0.07 0.00 0.00 56.30 55.90 1mr4 h ASN 8 Cb 1.14 0.00 -0.01 0.00 -2.07 0.00 0.00 38.32 37.38 1mr4 h ASN 8 CO 1.01 0.39 -0.53 0.74 0.07 0.00 0.00 177.43 179.10 1mr4 h THR 9 N 0.00 1.33 -2.25 6.14 2.02 -1.88 -3.43 112.91 114.85 1mr4 h THR 9 Ca -0.00 -1.79 -0.58 0.00 0.77 0.00 0.00 66.41 64.80 1mr4 h THR 9 Cb 0.97 1.79 -0.01 0.00 -1.74 0.00 0.00 68.15 69.16 1mr4 h THR 9 CO 0.05 0.55 1.41 0.12 0.37 0.00 0.00 175.52 178.02 1mr4 s PHE 10 N -3.98 1.41 -0.35 3.16 5.36 -1.11 -4.88 117.98 117.59 1mr4 s PHE 10 Ca -0.06 0.59 -0.04 0.00 -0.96 0.00 0.00 56.93 56.46 1mr4 s PHE 10 Cb 0.12 -4.00 0.01 0.00 -0.34 0.00 0.00 43.02 38.81 1mr4 s PHE 10 CO 0.82 -3.62 2.84 -0.35 -1.46 0.00 0.00 175.22 173.45 1mr4 n PRO 11 N 8.64 2.23 -3.29 10.12 -0.04 -1.26 -4.91 135.00 146.49 1mr4 n PRO 11 Ca 0.27 -1.96 0.00 0.00 -0.04 0.00 0.00 63.50 61.77 1mr4 n PRO 11 Cb 0.46 -2.04 0.00 0.00 -0.04 0.00 0.00 33.50 31.88 1mr4 n PRO 11 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1mr4 n GLY 12 N 1.13 -0.54 3.84 0.55 0.00 -1.26 -5.14 105.19 103.77 1mr4 n GLY 12 Ca 0.45 -0.79 -0.35 0.00 0.00 0.00 0.00 46.02 45.34 1mr4 n GLY 12 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1mr4 s ILE 13 N -3.03 4.74 -0.91 -0.61 1.01 -1.26 -4.78 121.20 116.36 1mr4 s ILE 13 Ca 0.00 0.97 -0.24 0.00 0.00 0.00 0.00 60.65 61.37 1mr4 s ILE 13 Cb 0.00 -3.74 -0.04 0.00 0.01 0.00 0.00 42.46 38.68 1mr4 s ILE 13 CO 0.00 0.13 1.92 0.00 0.00 0.00 0.00 174.94 176.99 1mr4 h ILE 15 N 7.23 0.80 -3.65 0.00 1.08 -1.94 -3.46 117.51 117.58 1mr4 h ILE 15 Ca 0.10 -2.48 -0.12 0.00 -0.39 0.00 0.00 64.86 61.97 1mr4 h ILE 15 Cb 1.00 2.60 -0.17 0.00 -3.07 0.00 0.00 36.82 37.18 1mr4 h ILE 15 CO 1.22 0.84 -0.44 0.42 -0.69 0.00 0.00 178.15 179.50 1mr4 s THR 16 N -2.58 0.12 0.07 -0.27 -4.23 -1.26 -5.08 115.64 102.41 1mr4 s THR 16 Ca -0.17 -0.97 -0.18 0.00 -1.18 0.00 0.00 61.69 59.19 1mr4 s THR 16 Cb 0.06 -0.91 -0.12 0.00 1.34 0.00 0.00 72.50 72.87 1mr4 s THR 16 CO 0.81 -0.53 1.39 0.50 -0.54 0.00 0.00 174.62 176.24 1mr4 h LYS 17 N 3.51 0.49 -0.75 3.99 3.11 -1.94 -3.26 116.57 121.73 1mr4 h LYS 17 Ca -0.32 -0.25 0.14 0.00 -2.81 0.00 0.00 60.65 57.40 1mr4 h LYS 17 Cb 1.19 0.00 -0.14 0.00 -1.00 0.00 0.00 32.23 32.29 1mr4 h LYS 17 CO 0.49 0.82 -0.29 -1.35 -2.81 0.00 0.00 179.45 176.32 1mr4 h PRO 18 N 0.18 -0.06 -0.67 1.90 0.11 -1.98 0.52 132.00 132.00 1mr4 h PRO 18 Ca 0.04 0.00 -0.08 0.00 0.11 0.00 0.00 66.00 66.07 1mr4 h PRO 18 Cb 0.72 0.01 -0.03 0.00 0.11 0.00 0.00 31.00 31.82 1mr4 h PRO 18 CO 0.05 -0.04 0.11 -1.35 -0.21 0.00 0.00 178.00 176.55 1mr4 h PRO 19 N -0.06 1.11 -0.64 1.05 0.11 -2.02 -2.73 132.00 128.82 1mr4 h PRO 19 Ca 0.32 -0.30 -0.06 0.00 0.11 0.00 0.00 66.00 66.07 1mr4 h PRO 19 Cb 0.57 -0.13 -0.03 0.00 0.11 0.00 0.00 31.00 31.52 1mr4 h PRO 19 CO -0.80 1.02 0.18 0.00 -0.21 0.00 0.00 178.00 178.19 1mr4 h ARG 21 N 0.95 -0.54 0.00 0.00 1.12 0.30 -1.85 114.38 114.37 1mr4 h ARG 21 Ca 0.21 0.04 -0.02 0.00 -1.11 0.00 0.00 59.98 59.09 1mr4 h ARG 21 Cb 0.30 0.12 -0.00 0.00 -0.01 0.00 0.00 29.97 30.38 1mr4 h ARG 21 CO -0.00 -0.36 -0.10 1.57 -3.11 0.00 0.00 179.97 177.96 1mr4 h LYS 22 N -0.56 0.00 -0.69 0.20 2.10 -1.54 -1.93 116.57 114.16 1mr4 h LYS 22 Ca -0.00 0.00 -0.07 0.00 -2.00 0.00 0.00 60.65 58.57 1mr4 h LYS 22 Cb 0.56 0.00 -0.03 0.00 -0.90 0.00 0.00 32.23 31.87 1mr4 h LYS 22 CO -0.22 0.10 0.14 0.00 -2.00 0.00 0.00 179.45 177.47 1mr4 h ALA 23 N 1.90 0.94 -0.08 0.07 0.00 -1.02 -0.26 119.26 120.80 1mr4 h ALA 23 Ca -0.00 -0.26 -0.16 0.00 0.00 0.00 0.00 54.91 54.48 1mr4 h ALA 23 Cb 0.22 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 17.74 1mr4 h ALA 23 CO 0.01 0.67 -0.65 0.00 0.00 0.00 0.00 179.25 179.28 1mr4 h ILE 25 N 0.24 1.27 -0.42 0.00 2.04 -0.91 -2.88 117.51 116.86 1mr4 h ILE 25 Ca -0.01 -1.12 -0.08 0.00 1.00 0.00 0.00 64.86 64.64 1mr4 h ILE 25 Cb 1.19 1.16 -0.02 0.00 -0.74 0.00 0.00 36.82 38.41 1mr4 h ILE 25 CO 0.11 0.38 -0.08 0.77 0.00 0.00 0.00 178.15 179.32 1mr4 h SER 26 N 0.59 0.71 -3.00 1.72 4.64 -1.06 -3.44 113.55 113.72 1mr4 h SER 26 Ca 0.11 -0.20 -0.16 0.00 -0.47 0.00 0.00 61.79 61.07 1mr4 h SER 26 Cb 0.57 -0.19 0.06 0.00 -0.31 0.00 0.00 62.40 62.52 1mr4 h SER 26 CO 0.03 0.83 0.13 -0.62 -0.87 0.00 0.00 176.83 176.34 1mr4 n GLU 27 N -4.18 -0.31 -2.37 4.77 -0.58 -1.01 -4.95 120.64 112.00 1mr4 n GLU 27 Ca 0.02 -0.83 -0.42 0.00 -0.42 0.00 0.00 57.16 55.50 1mr4 n GLU 27 Cb 0.34 -0.46 0.00 0.00 -0.57 0.00 0.00 31.44 30.76 1mr4 n GLU 27 CO 0.00 0.00 0.00 1.63 -0.48 0.00 0.00 177.13 178.28 1mr4 n LYS 28 N -1.98 3.73 0.00 3.49 4.01 -1.26 -4.85 118.16 121.30 1mr4 n LYS 28 Ca 0.06 -3.61 0.00 0.00 -0.51 0.00 0.00 58.31 54.26 1mr4 n LYS 28 Cb 0.22 -2.88 0.00 0.00 -0.51 0.00 0.00 35.03 31.86 1mr4 n LYS 28 CO 0.00 0.00 0.00 1.19 -1.11 0.00 0.00 177.40 177.48 1mr4 n PHE 29 N 3.57 0.00 0.00 2.13 3.01 -1.10 -4.61 117.46 120.46 1mr4 n PHE 29 Ca 0.39 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.85 1mr4 n PHE 29 Cb 0.36 0.00 0.00 0.00 -0.01 0.00 0.00 39.48 39.83 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 -4.61 4.37 5.66 0.37 -4.53 114.28 115.54 1mr4 n THR 30 Ca 0.00 0.00 -0.28 0.00 -3.05 0.00 0.00 64.05 60.72 1mr4 n THR 30 Cb 0.00 0.00 -0.10 0.00 -1.55 0.00 0.00 70.33 68.68 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 -1.86 3.62 -0.10 1.09 2.15 -1.13 -4.70 116.67 115.75 1mr4 s ASP 31 Ca 0.00 -1.42 -0.30 0.00 0.43 0.00 0.00 52.55 51.26 1mr4 s ASP 31 Cb 0.00 -0.18 0.11 0.00 -0.30 0.00 0.00 42.92 42.55 1mr4 s ASP 31 CO 0.00 -0.55 0.93 -0.83 -0.17 0.00 0.00 175.17 174.54 1mr4 s GLY 32 N -3.69 -0.37 0.15 2.66 0.00 -1.26 -0.06 107.32 104.75 1mr4 s GLY 32 Ca 0.31 1.60 -0.16 0.00 0.00 0.00 0.00 44.72 46.47 1mr4 s GLY 32 CO 0.15 0.78 0.77 -2.39 0.00 0.00 0.00 173.10 172.41 1mr4 n HIS 33 N 0.41 -1.24 -3.05 1.90 1.44 -0.57 -4.61 115.22 109.51 1mr4 n HIS 33 Ca -0.11 -1.00 -0.40 0.00 -2.01 0.00 0.00 57.72 54.20 1mr4 n HIS 33 Cb 0.59 0.49 -0.05 0.00 0.12 0.00 0.00 29.99 31.14 1mr4 n HIS 33 CO 0.00 0.00 0.00 0.00 -2.81 0.00 0.00 176.34 173.53 1mr4 s SER 35 N 0.97 6.73 0.00 0.00 0.15 -0.32 -4.83 113.70 116.41 1mr4 s SER 35 Ca 0.34 2.43 -0.04 0.00 0.70 0.00 0.00 55.95 59.39 1mr4 s SER 35 Cb -0.17 -2.59 -0.16 0.00 -1.71 0.00 0.00 66.02 61.39 1mr4 s SER 35 CO 0.14 -0.72 2.68 2.29 1.20 0.00 0.00 173.24 178.83 1mr4 n LYS 36 N 4.06 1.42 0.00 5.44 2.85 -1.26 -2.90 118.16 127.77 1mr4 n LYS 36 Ca 0.13 -0.59 0.00 0.00 -1.05 0.00 0.00 58.31 56.79 1mr4 n LYS 36 Cb 0.41 -1.68 0.00 0.00 -0.65 0.00 0.00 35.03 33.11 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 2.31 0.00 0.00 0.58 -0.00 -1.26 -5.11 119.36 115.88 1mr4 n ILE 37 Ca 0.26 0.00 0.00 0.00 -0.00 0.00 0.00 62.75 63.01 1mr4 n ILE 37 Cb 0.66 -0.37 0.00 0.00 -0.00 0.00 0.00 39.64 39.93 1mr4 n ILE 37 CO 0.00 0.00 0.00 0.18 -0.00 0.00 0.00 176.55 176.73 1mr4 n LEU 38 N -2.10 0.00 -2.74 1.39 4.77 -1.14 -5.09 117.00 112.08 1mr4 n LEU 38 Ca 0.00 0.00 -0.09 0.00 -0.03 0.00 0.00 56.01 55.89 1mr4 n LEU 38 Cb 0.12 0.00 0.07 0.00 -2.33 0.00 0.00 43.42 41.28 1mr4 n LEU 38 CO 0.00 0.00 0.19 -1.14 -1.33 0.00 0.00 177.39 175.11 1mr4 n ARG 39 N 0.00 1.13 -4.27 3.23 0.63 -1.26 -4.73 116.66 111.40 1mr4 n ARG 39 Ca 0.00 -2.49 -0.27 0.00 -0.92 0.00 0.00 57.85 54.17 1mr4 n ARG 39 Cb 0.00 -0.75 -0.09 0.00 0.45 0.00 0.00 32.46 32.07 1mr4 n ARG 39 CO 0.00 0.00 0.00 1.03 -2.51 0.00 0.00 177.63 176.15 1mr4 s ARG 40 N -1.22 2.12 -0.53 -0.14 1.81 -1.26 -0.00 118.95 119.73 1mr4 s ARG 40 Ca 0.26 -1.20 -0.27 0.00 -1.72 0.00 0.00 55.73 52.79 1mr4 s ARG 40 Cb 0.40 -2.22 -0.01 0.00 -0.45 0.00 0.00 34.95 32.67 1mr4 s ARG 40 CO -0.04 0.45 1.76 0.00 -0.68 0.00 0.00 175.30 176.79 1mr4 s LEU 42 N 7.94 4.70 0.27 0.00 2.96 0.42 0.46 118.68 135.44 1mr4 s LEU 42 Ca 0.68 -0.95 -0.10 0.00 -0.22 0.00 0.00 54.13 53.54 1mr4 s LEU 42 Cb -0.15 -2.48 -0.07 0.00 0.50 0.00 0.00 46.19 44.00 1mr4 s LEU 42 CO 0.25 -1.19 0.60 0.00 -1.32 0.00 0.00 176.35 174.69 1mr4 s THR 44 N -1.95 2.94 -0.03 0.00 -4.23 0.91 -1.06 115.64 112.22 1mr4 s THR 44 Ca 0.48 -0.69 0.04 0.00 -1.18 0.00 0.00 61.69 60.34 1mr4 s THR 44 Cb -0.11 -2.23 -0.03 0.00 1.34 0.00 0.00 72.50 71.47 1mr4 s THR 44 CO 0.23 0.52 -0.14 -1.59 -0.54 0.00 0.00 174.62 173.10 1mr4 s LYS 45 N 0.48 2.43 -0.88 3.99 -2.85 -0.28 -0.48 119.74 122.16 1mr4 s LYS 45 Ca -0.10 -0.75 -0.07 0.00 -1.00 0.00 0.00 55.97 54.06 1mr4 s LYS 45 Cb -0.16 -2.36 -0.06 0.00 -2.06 0.00 0.00 37.83 33.19 1mr4 s LYS 45 CO 0.04 0.61 2.06 -0.35 0.10 0.00 0.00 175.35 177.81 1mr4 n PRO 46 N 2.07 1.98 0.00 1.78 -0.04 -1.26 0.67 135.00 140.20 1mr4 n PRO 46 Ca -0.17 -1.46 0.08 0.00 -0.04 0.00 0.00 63.50 61.91 1mr4 n PRO 46 Cb 0.52 -2.48 0.48 0.00 -0.04 0.00 0.00 33.50 31.98 1mr4 n PRO 46 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46