#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 -3.10 -2.95 2.89 4.71 0.11 -4.73 120.64 117.56 1mr4 n GLU 2 Ca 0.00 0.47 -0.40 0.00 -0.01 0.00 0.00 57.16 57.22 1mr4 n GLU 2 Cb 0.00 -4.24 -0.05 0.00 -1.01 0.00 0.00 31.44 26.13 1mr4 n GLU 2 CO 0.00 0.00 0.00 0.00 0.09 0.00 0.00 177.13 177.22 1mr4 s LYS 4 N -0.45 3.91 -0.18 0.00 2.47 -1.26 -1.20 119.74 123.03 1mr4 s LYS 4 Ca 0.38 0.46 -0.09 0.00 -1.56 0.00 0.00 55.97 55.17 1mr4 s LYS 4 Cb -0.22 -3.74 0.07 0.00 -1.46 0.00 0.00 37.83 32.48 1mr4 s LYS 4 CO 0.25 -0.68 0.42 0.99 0.16 0.00 0.00 175.35 176.49 1mr4 s THR 5 N 2.89 -0.21 -0.06 3.43 2.01 -0.13 -4.98 115.64 118.59 1mr4 s THR 5 Ca 0.30 0.11 -0.30 0.00 0.31 0.00 0.00 61.69 62.12 1mr4 s THR 5 Cb -0.14 -0.64 -0.04 0.00 0.01 0.00 0.00 72.50 71.69 1mr4 s THR 5 CO 0.13 0.05 1.34 -1.83 -0.69 0.00 0.00 174.62 173.62 1mr4 s GLU 6 N 1.78 4.28 -0.09 4.92 1.03 -1.26 -1.87 118.70 127.49 1mr4 s GLU 6 Ca -0.07 1.84 -0.33 0.00 0.03 0.00 0.00 54.97 56.44 1mr4 s GLU 6 Cb -0.09 -3.66 -0.16 0.00 -0.80 0.00 0.00 34.13 29.42 1mr4 s GLU 6 CO -0.13 -0.60 0.94 0.45 -1.33 0.00 0.00 175.26 174.59 1mr4 n SER 7 N 5.79 0.20 0.07 0.83 2.88 -1.09 -4.86 113.62 117.44 1mr4 n SER 7 Ca 0.13 0.93 -0.12 0.00 -1.33 0.00 0.00 58.87 58.49 1mr4 n SER 7 Cb 0.44 -0.73 -0.13 0.00 -0.75 0.00 0.00 64.21 63.05 1mr4 n SER 7 CO 0.00 0.00 0.00 0.78 -1.23 0.00 0.00 175.04 174.59 1mr4 h ASN 8 N 2.73 0.21 0.02 -3.46 -0.26 -1.94 -3.34 115.58 109.55 1mr4 h ASN 8 Ca -0.39 -0.23 -0.17 0.00 -0.56 0.00 0.00 56.30 54.94 1mr4 h ASN 8 Cb 1.13 -0.07 0.01 0.00 -1.06 0.00 0.00 38.32 38.34 1mr4 h ASN 8 CO 0.57 1.19 -0.69 0.71 -1.06 0.00 0.00 177.43 178.15 1mr4 h THR 9 N 0.04 1.42 -0.23 2.81 1.35 -1.92 -3.46 112.91 112.92 1mr4 h THR 9 Ca -0.09 -2.16 -0.61 0.00 -0.55 0.00 0.00 66.41 63.00 1mr4 h THR 9 Cb 1.89 2.65 -0.02 0.00 -1.73 0.00 0.00 68.15 70.93 1mr4 h THR 9 CO 0.16 0.63 0.85 0.33 -0.25 0.00 0.00 175.52 177.25 1mr4 n PHE 10 N -4.16 1.01 -3.13 4.73 7.35 -1.25 -4.88 117.46 117.13 1mr4 n PHE 10 Ca -0.11 0.67 -0.39 0.00 -0.76 0.00 0.00 57.45 56.86 1mr4 n PHE 10 Cb 0.72 -1.72 -0.05 0.00 0.35 0.00 0.00 39.48 38.78 1mr4 n PHE 10 CO 0.00 0.00 0.00 -1.25 -0.76 0.00 0.00 176.76 174.75 1mr4 s PRO 11 N 3.85 4.38 3.17 -7.13 0.04 -1.26 -4.95 135.00 133.10 1mr4 s PRO 11 Ca 0.87 0.86 0.00 0.00 0.04 0.00 0.00 61.00 62.77 1mr4 s PRO 11 Cb -1.13 -3.33 0.00 0.00 0.04 0.00 0.00 34.50 30.07 1mr4 s PRO 11 CO 0.53 0.38 0.00 0.41 0.04 0.00 0.00 177.00 178.37 1mr4 n GLY 12 N 2.31 0.05 3.82 0.56 0.00 -1.26 -4.81 105.19 105.86 1mr4 n GLY 12 Ca -0.06 -0.95 -0.36 0.00 0.00 0.00 0.00 46.02 44.65 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 0.00 4.68 0.18 -0.61 1.09 -1.26 -5.00 121.20 120.28 1mr4 s ILE 13 Ca 0.00 1.14 -0.31 0.00 -1.10 0.00 0.00 60.65 60.38 1mr4 s ILE 13 Cb 0.00 -3.84 -0.10 0.00 -1.06 0.00 0.00 42.46 37.47 1mr4 s ILE 13 CO 0.00 0.28 1.53 0.00 -0.10 0.00 0.00 174.94 176.65 1mr4 n ILE 15 N 3.61 0.67 -4.10 0.00 2.08 -1.26 -4.79 119.36 115.56 1mr4 n ILE 15 Ca 0.12 -0.17 -0.15 0.00 0.56 0.00 0.00 62.75 63.11 1mr4 n ILE 15 Cb 0.39 -1.66 -0.04 0.00 -0.75 0.00 0.00 39.64 37.58 1mr4 n ILE 15 CO 0.00 0.00 0.00 0.35 0.56 0.00 0.00 176.55 177.46 1mr4 n THR 16 N -3.54 0.00 0.01 1.39 -2.24 -1.26 -5.08 114.28 103.56 1mr4 n THR 16 Ca -0.24 -1.83 -0.12 0.00 -2.27 0.00 0.00 64.05 59.59 1mr4 n THR 16 Cb 0.67 1.03 -0.09 0.00 -2.10 0.00 0.00 70.33 69.84 1mr4 n THR 16 CO 0.00 0.00 0.00 0.50 -0.57 0.00 0.00 175.07 175.00 1mr4 h LYS 17 N 0.00 -0.10 -0.30 -0.78 1.63 -1.97 -3.21 116.57 111.83 1mr4 h LYS 17 Ca -0.23 0.01 0.07 0.00 -0.85 0.00 0.00 60.65 59.64 1mr4 h LYS 17 Cb 1.08 0.02 -0.08 0.00 -0.60 0.00 0.00 32.23 32.65 1mr4 h LYS 17 CO 0.32 0.43 -0.34 -1.35 -3.45 0.00 0.00 179.45 175.07 1mr4 h PRO 18 N -0.76 -0.30 -0.85 1.90 0.11 -1.98 0.28 132.00 130.40 1mr4 h PRO 18 Ca -0.01 0.02 -0.03 0.00 0.11 0.00 0.00 66.00 66.09 1mr4 h PRO 18 Cb 0.59 0.07 -0.04 0.00 0.11 0.00 0.00 31.00 31.73 1mr4 h PRO 18 CO 0.02 -0.20 0.40 -1.35 -0.21 0.00 0.00 178.00 176.66 1mr4 h PRO 19 N -0.32 1.23 0.47 1.05 0.11 -2.00 -1.59 132.00 130.96 1mr4 h PRO 19 Ca 0.14 -0.19 -0.02 0.00 0.11 0.00 0.00 66.00 66.04 1mr4 h PRO 19 Cb 0.55 -0.22 0.00 0.00 0.11 0.00 0.00 31.00 31.44 1mr4 h PRO 19 CO -0.47 0.95 -0.23 0.00 -0.21 0.00 0.00 178.00 178.04 1mr4 n ARG 21 N -3.78 -0.10 -0.15 0.00 0.63 0.95 -0.60 116.66 113.62 1mr4 n ARG 21 Ca -0.08 1.48 -0.06 0.00 -0.92 0.00 0.00 57.85 58.27 1mr4 n ARG 21 Cb 0.25 -2.20 0.03 0.00 0.45 0.00 0.00 32.46 30.99 1mr4 n ARG 21 CO 0.00 0.00 0.00 -0.22 -2.51 0.00 0.00 177.63 174.90 1mr4 h LYS 22 N 0.00 0.48 -0.36 -0.14 1.63 -1.20 -1.25 116.57 115.73 1mr4 h LYS 22 Ca 0.44 -0.03 -0.00 0.00 -0.85 0.00 0.00 60.65 60.21 1mr4 h LYS 22 Cb 0.68 -0.11 -0.02 0.00 -0.60 0.00 0.00 32.23 32.18 1mr4 h LYS 22 CO -0.97 0.32 0.21 0.00 -3.45 0.00 0.00 179.45 175.55 1mr4 h ALA 23 N 1.22 0.47 -0.45 5.00 0.00 -0.19 -0.80 119.26 124.51 1mr4 h ALA 23 Ca 0.19 -0.07 0.04 0.00 0.00 0.00 0.00 54.91 55.07 1mr4 h ALA 23 Cb 0.06 -0.15 -0.04 0.00 0.00 0.00 0.00 17.79 17.66 1mr4 h ALA 23 CO -0.11 -0.02 0.22 0.00 0.00 0.00 0.00 179.25 179.34 1mr4 h ILE 25 N 0.43 1.26 -0.73 0.00 2.04 -0.97 -1.09 117.51 118.46 1mr4 h ILE 25 Ca 0.20 -0.93 -0.01 0.00 1.00 0.00 0.00 64.86 65.12 1mr4 h ILE 25 Cb 0.12 0.50 -0.03 0.00 -0.74 0.00 0.00 36.82 36.66 1mr4 h ILE 25 CO -0.15 0.36 0.42 0.28 0.00 0.00 0.00 178.15 179.06 1mr4 h SER 26 N 1.07 0.90 0.00 1.72 0.02 -0.66 -3.37 113.55 113.22 1mr4 h SER 26 Ca 0.23 -0.08 0.00 0.00 -0.84 0.00 0.00 61.79 61.10 1mr4 h SER 26 Cb 0.33 -0.23 0.00 0.00 0.14 0.00 0.00 62.40 62.65 1mr4 h SER 26 CO -0.00 0.72 0.00 -0.62 -1.14 0.00 0.00 176.83 175.78 1mr4 n GLU 27 N -4.49 0.00 -2.30 3.45 1.02 -0.67 -4.94 120.64 112.70 1mr4 n GLU 27 Ca 0.06 0.00 -0.02 0.00 -0.02 0.00 0.00 57.16 57.18 1mr4 n GLU 27 Cb 0.07 -0.30 0.06 0.00 -0.02 0.00 0.00 31.44 31.25 1mr4 n GLU 27 CO 0.00 0.00 0.00 1.17 1.18 0.00 0.00 177.13 179.48 1mr4 n LYS 28 N 0.00 0.68 0.00 3.49 3.00 -1.07 -5.11 118.16 119.15 1mr4 n LYS 28 Ca 0.00 -0.82 0.00 0.00 -0.00 0.00 0.00 58.31 57.49 1mr4 n LYS 28 Cb 0.00 0.14 0.00 0.00 0.00 0.00 0.00 35.03 35.17 1mr4 n LYS 28 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.40 178.59 1mr4 n PHE 29 N -0.72 0.00 0.00 5.64 3.01 -0.43 -4.34 117.46 120.62 1mr4 n PHE 29 Ca -0.12 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.34 1mr4 n PHE 29 Cb 0.71 0.00 0.00 0.00 -0.01 0.00 0.00 39.48 40.18 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 -4.03 4.37 5.66 -0.27 -4.47 114.28 115.55 1mr4 n THR 30 Ca 0.00 0.00 -0.10 0.00 -3.05 0.00 0.00 64.05 60.90 1mr4 n THR 30 Cb 0.00 0.00 -0.05 0.00 -1.55 0.00 0.00 70.33 68.73 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 -0.96 0.14 -0.01 1.09 2.15 -1.04 -4.76 116.67 113.28 1mr4 s ASP 31 Ca 0.00 -1.10 -0.29 0.00 0.43 0.00 0.00 52.55 51.60 1mr4 s ASP 31 Cb 0.00 0.59 0.10 0.00 -0.30 0.00 0.00 42.92 43.31 1mr4 s ASP 31 CO 0.00 -1.16 0.87 -0.83 -0.17 0.00 0.00 175.17 173.88 1mr4 s GLY 32 N -3.08 -0.46 0.09 2.66 0.00 -1.26 -0.23 107.32 105.04 1mr4 s GLY 32 Ca 0.26 1.08 -0.24 0.00 0.00 0.00 0.00 44.72 45.82 1mr4 s GLY 32 CO 0.12 0.41 0.59 -2.38 0.00 0.00 0.00 173.10 171.84 1mr4 s HIS 33 N -2.91 -0.53 -0.07 1.90 -3.43 -0.04 -4.23 115.29 105.98 1mr4 s HIS 33 Ca 0.04 0.52 -0.24 0.00 -0.80 0.00 0.00 55.06 54.58 1mr4 s HIS 33 Cb -0.01 0.47 -0.04 0.00 -1.43 0.00 0.00 32.58 31.57 1mr4 s HIS 33 CO -0.08 -0.75 0.72 0.00 -2.00 0.00 0.00 174.74 172.63 1mr4 s SER 35 N 0.83 6.36 -0.15 0.00 0.15 -1.08 -4.88 113.70 114.94 1mr4 s SER 35 Ca 0.38 2.97 0.01 0.00 0.70 0.00 0.00 55.95 60.01 1mr4 s SER 35 Cb -0.18 -2.64 0.22 0.00 -1.71 0.00 0.00 66.02 61.72 1mr4 s SER 35 CO 0.18 -0.91 1.34 0.29 1.20 0.00 0.00 173.24 175.34 1mr4 n LYS 36 N 1.95 1.43 0.06 5.44 4.01 -1.26 -3.82 118.16 125.96 1mr4 n LYS 36 Ca 0.07 -1.01 0.00 0.00 -0.51 0.00 0.00 58.31 56.86 1mr4 n LYS 36 Cb 0.38 -1.40 0.00 0.00 -0.51 0.00 0.00 35.03 33.50 1mr4 n LYS 36 CO 0.00 0.00 0.00 -0.89 -1.11 0.00 0.00 177.40 175.40 1mr4 n ILE 37 N -0.03 0.00 -0.66 -0.18 2.08 -1.26 -5.11 119.36 114.20 1mr4 n ILE 37 Ca 0.20 0.00 0.00 0.00 0.56 0.00 0.00 62.75 63.51 1mr4 n ILE 37 Cb 0.88 -0.48 0.00 0.00 -0.75 0.00 0.00 39.64 39.29 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 -2.92 0.00 -2.82 1.39 7.99 -1.25 -5.08 117.00 114.31 1mr4 n LEU 38 Ca 0.00 0.00 -0.11 0.00 -0.01 0.00 0.00 56.01 55.89 1mr4 n LEU 38 Cb 0.00 0.00 0.06 0.00 -0.11 0.00 0.00 43.42 43.37 1mr4 n LEU 38 CO 0.00 0.00 0.16 -2.11 -1.51 0.00 0.00 177.39 173.93 1mr4 n ARG 39 N 0.00 1.07 -4.24 3.23 1.85 -1.26 -4.66 116.66 112.65 1mr4 n ARG 39 Ca 0.00 -2.50 -0.19 0.00 -1.00 0.00 0.00 57.85 54.16 1mr4 n ARG 39 Cb 0.00 -1.00 -0.12 0.00 -1.05 0.00 0.00 32.46 30.29 1mr4 n ARG 39 CO 0.00 0.00 0.00 0.50 -0.01 0.00 0.00 177.63 178.12 1mr4 s ARG 40 N -1.02 0.87 -0.58 2.89 3.52 -1.26 -1.71 118.95 121.66 1mr4 s ARG 40 Ca 0.27 -0.89 -0.28 0.00 -0.13 0.00 0.00 55.73 54.71 1mr4 s ARG 40 Cb 0.36 -0.89 0.02 0.00 -1.56 0.00 0.00 34.95 32.88 1mr4 s ARG 40 CO -0.05 0.21 1.37 0.00 -0.81 0.00 0.00 175.30 176.02 1mr4 s LEU 42 N 5.90 4.55 0.23 0.00 1.02 0.16 -2.68 118.68 127.85 1mr4 s LEU 42 Ca 0.49 -0.91 -0.09 0.00 0.02 0.00 0.00 54.13 53.64 1mr4 s LEU 42 Cb -0.10 -2.49 -0.07 0.00 0.02 0.00 0.00 46.19 43.55 1mr4 s LEU 42 CO 0.24 -1.28 0.54 0.00 0.02 0.00 0.00 176.35 175.88 1mr4 s THR 44 N -1.81 2.62 0.12 0.00 -4.23 0.68 -0.95 115.64 112.07 1mr4 s THR 44 Ca 0.47 -0.80 0.08 0.00 -1.18 0.00 0.00 61.69 60.26 1mr4 s THR 44 Cb -0.11 -2.08 -0.04 0.00 1.34 0.00 0.00 72.50 71.61 1mr4 s THR 44 CO 0.21 0.53 -0.19 -1.59 -0.54 0.00 0.00 174.62 173.04 1mr4 s LYS 45 N 0.54 1.14 0.31 3.99 -2.85 -0.34 -1.11 119.74 121.43 1mr4 s LYS 45 Ca -0.11 -1.23 -0.29 0.00 -1.00 0.00 0.00 55.97 53.34 1mr4 s LYS 45 Cb -0.16 -1.30 -0.11 0.00 -2.06 0.00 0.00 37.83 34.20 1mr4 s LYS 45 CO 0.04 0.29 1.56 -2.14 0.10 0.00 0.00 175.35 175.20 1mr4 s PRO 46 N -2.23 4.12 0.00 1.78 0.02 -1.26 0.04 135.00 137.47 1mr4 s PRO 46 Ca 0.09 2.57 0.00 0.00 0.02 0.00 0.00 61.00 63.68 1mr4 s PRO 46 Cb -0.08 -3.01 0.00 0.00 0.02 0.00 0.00 34.50 31.43 1mr4 s PRO 46 CO 0.05 -0.60 0.00 0.00 -0.33 0.00 0.00 177.00 176.12