#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1f4m h LYS 3 N 0.00 -0.34 -0.23 1.09 1.57 -2.05 -2.41 116.57 114.21 1f4m h LYS 3 Ca 0.00 0.02 -0.06 0.00 -1.87 0.00 0.00 60.65 58.74 1f4m h LYS 3 Cb 0.00 0.08 -0.01 0.00 0.08 0.00 0.00 32.23 32.37 1f4m h LYS 3 CO 0.00 -0.22 -0.12 1.96 -0.57 0.00 0.00 179.45 180.50 1f4m h GLN 4 N -0.35 0.37 -0.62 3.15 4.20 -2.05 -1.65 115.11 118.16 1f4m h GLN 4 Ca 0.09 -0.09 -0.03 0.00 0.06 0.00 0.00 58.65 58.67 1f4m h GLN 4 Cb 0.47 -0.05 -0.03 0.00 0.30 0.00 0.00 27.48 28.18 1f4m h GLN 4 CO -0.28 0.49 0.27 0.93 -0.67 0.00 0.00 178.83 179.57 1f4m h GLU 5 N 0.35 0.91 -0.10 1.46 5.08 -1.89 -1.09 114.58 119.29 1f4m h GLU 5 Ca 0.07 -0.15 -0.22 0.00 -1.00 0.00 0.00 59.36 58.06 1f4m h GLU 5 Cb 0.42 -0.15 0.01 0.00 0.50 0.00 0.00 28.75 29.53 1f4m h GLU 5 CO 0.02 0.75 -0.81 0.87 -1.00 0.00 0.00 179.01 178.85 1f4m h LYS 6 N 0.85 0.64 -0.27 2.33 1.57 -1.25 -1.78 116.57 118.67 1f4m h LYS 6 Ca 0.21 -0.55 0.05 0.00 -1.87 0.00 0.00 60.65 58.49 1f4m h LYS 6 Cb 0.17 0.12 -0.05 0.00 0.08 0.00 0.00 32.23 32.56 1f4m h LYS 6 CO -0.02 1.17 -0.04 1.15 -0.57 0.00 0.00 179.45 181.14 1f4m h THR 7 N 0.42 0.76 -0.54 -0.16 2.02 -1.09 0.62 112.91 114.94 1f4m h THR 7 Ca -0.06 -0.01 0.02 0.00 0.77 0.00 0.00 66.41 67.13 1f4m h THR 7 Cb 1.43 0.73 -0.03 0.00 -1.74 0.00 0.00 68.15 68.53 1f4m h THR 7 CO 0.16 0.01 0.33 0.40 0.37 0.00 0.00 175.52 176.78 1f4m h ILE 8 N 0.04 1.08 -0.04 3.11 2.04 -1.14 0.12 117.51 122.72 1f4m h ILE 8 Ca 0.13 -0.23 -0.02 0.00 1.00 0.00 0.00 64.86 65.74 1f4m h ILE 8 Cb 0.19 0.36 -0.00 0.00 -0.74 0.00 0.00 36.82 36.62 1f4m h ILE 8 CO -0.25 0.12 -0.05 0.25 0.00 0.00 0.00 178.15 178.22 1f4m h LEU 9 N 0.66 0.12 0.04 1.44 5.85 -0.57 -2.98 115.31 119.88 1f4m h LEU 9 Ca 0.21 -0.50 -0.00 0.00 0.84 0.00 0.00 57.88 58.43 1f4m h LEU 9 Cb -0.01 -0.03 0.00 0.00 0.37 0.00 0.00 40.66 40.99 1f4m h LEU 9 CO -0.08 0.59 -0.02 0.78 -0.34 0.00 0.00 178.44 179.37 1f4m h ASN 10 N -0.35 -0.05 -0.64 1.25 2.35 0.27 -2.92 115.58 115.49 1f4m h ASN 10 Ca 0.01 -0.35 0.08 0.00 -0.55 0.00 0.00 56.30 55.48 1f4m h ASN 10 Cb 0.56 0.01 -0.07 0.00 0.05 0.00 0.00 38.32 38.88 1f4m h ASN 10 CO 0.01 0.33 0.30 0.24 -1.65 0.00 0.00 177.43 176.67 1f4m h MET 11 N -0.44 0.52 -0.31 0.81 2.86 -1.10 -0.35 114.93 116.92 1f4m h MET 11 Ca -0.01 -0.03 -0.00 0.00 -2.06 0.00 0.00 59.70 57.60 1f4m h MET 11 Cb 0.40 -0.12 -0.01 0.00 0.06 0.00 0.00 31.60 31.93 1f4m h MET 11 CO 0.01 0.34 0.19 0.00 1.06 0.00 0.00 176.91 178.51 1f4m h ALA 12 N 1.39 0.39 -0.66 6.32 0.00 -1.57 -0.38 119.26 124.75 1f4m h ALA 12 Ca 0.31 -0.04 -0.04 0.00 0.00 0.00 0.00 54.91 55.14 1f4m h ALA 12 Cb 0.31 -0.12 -0.03 0.00 0.00 0.00 0.00 17.79 17.95 1f4m h ALA 12 CO -0.25 -0.12 0.26 -0.09 0.00 0.00 0.00 179.25 179.05 1f4m h ARG 13 N 0.40 0.97 0.00 0.00 2.43 -1.23 -2.70 114.38 114.24 1f4m h ARG 13 Ca 0.11 -0.16 -0.08 0.00 -0.81 0.00 0.00 59.98 59.05 1f4m h ARG 13 Cb -0.01 -0.17 -0.01 0.00 -0.42 0.00 0.00 29.97 29.37 1f4m h ARG 13 CO -0.02 0.79 -0.36 0.35 -1.51 0.00 0.00 179.97 179.22 1f4m h PHE 14 N 0.95 0.00 -0.11 2.20 3.04 -0.56 -2.96 116.94 119.50 1f4m h PHE 14 Ca 0.22 0.00 -0.13 0.00 3.98 0.00 0.00 57.97 62.04 1f4m h PHE 14 Cb 0.19 0.00 -0.01 0.00 2.56 0.00 0.00 35.95 38.68 1f4m h PHE 14 CO 0.01 0.36 -0.49 0.82 -2.02 0.00 0.00 178.31 176.99 1f4m h ILE 15 N 0.00 1.34 0.09 1.41 2.04 -0.75 -2.49 117.51 119.15 1f4m h ILE 15 Ca -0.00 -1.72 0.02 0.00 1.00 0.00 0.00 64.86 64.15 1f4m h ILE 15 Cb 0.95 1.80 -0.04 0.00 -0.74 0.00 0.00 36.82 38.79 1f4m h ILE 15 CO 0.05 0.52 -0.27 0.03 0.00 0.00 0.00 178.15 178.48 1f4m h ARG 16 N 0.24 -0.45 0.03 2.37 3.08 -1.42 0.17 114.38 118.39 1f4m h ARG 16 Ca 0.01 0.03 0.02 0.00 0.07 0.00 0.00 59.98 60.11 1f4m h ARG 16 Cb 0.96 0.10 -0.03 0.00 0.08 0.00 0.00 29.97 31.08 1f4m h ARG 16 CO 0.08 -0.30 -0.16 0.66 -1.07 0.00 0.00 179.97 179.18 1f4m h SER 17 N -0.46 -0.47 -0.55 7.04 4.64 -1.59 -1.38 113.55 120.78 1f4m h SER 17 Ca 0.04 0.06 0.10 0.00 -0.47 0.00 0.00 61.79 61.52 1f4m h SER 17 Cb 0.50 0.19 -0.08 0.00 -0.31 0.00 0.00 62.40 62.71 1f4m h SER 17 CO -0.17 -0.23 0.12 1.56 -0.87 0.00 0.00 176.83 177.24 1f4m h GLN 18 N -0.29 0.25 -0.99 4.77 4.20 -1.23 0.97 115.11 122.79 1f4m h GLN 18 Ca 0.04 -0.02 0.03 0.00 0.06 0.00 0.00 58.65 58.77 1f4m h GLN 18 Cb 0.34 -0.06 -0.06 0.00 0.30 0.00 0.00 27.48 28.00 1f4m h GLN 18 CO -0.14 0.17 0.65 0.00 -0.67 0.00 0.00 178.83 178.84 1f4m h ALA 19 N 1.43 1.35 0.00 3.87 0.00 -0.59 0.46 119.26 125.78 1f4m h ALA 19 Ca 0.28 -0.05 -0.09 0.00 0.00 0.00 0.00 54.91 55.05 1f4m h ALA 19 Cb 0.39 -0.36 -0.01 0.00 0.00 0.00 0.00 17.79 17.81 1f4m h ALA 19 CO -0.36 0.57 -0.43 -0.07 0.00 0.00 0.00 179.25 178.96 1f4m h LEU 20 N 1.26 0.00 -0.55 0.00 4.07 0.10 0.93 115.31 121.13 1f4m h LEU 20 Ca 0.39 0.00 -0.15 0.00 0.08 0.00 0.00 57.88 58.20 1f4m h LEU 20 Cb -0.03 0.00 -0.01 0.00 1.08 0.00 0.00 40.66 41.71 1f4m h LEU 20 CO -0.11 0.43 -0.45 0.74 -1.08 0.00 0.00 178.44 177.96 1f4m h THR 21 N 0.00 1.30 -0.33 0.22 2.02 0.55 -1.89 112.91 114.78 1f4m h THR 21 Ca -0.00 -1.64 -0.13 0.00 0.77 0.00 0.00 66.41 65.40 1f4m h THR 21 Cb 0.76 1.59 -0.01 0.00 -1.74 0.00 0.00 68.15 68.75 1f4m h THR 21 CO 0.06 0.52 -0.31 0.40 0.37 0.00 0.00 175.52 176.56 1f4m h ILE 22 N 0.53 1.28 0.23 3.11 2.04 -0.32 -2.48 117.51 121.91 1f4m h ILE 22 Ca 0.03 -1.45 -0.01 0.00 1.00 0.00 0.00 64.86 64.43 1f4m h ILE 22 Cb 0.99 1.36 0.00 0.00 -0.74 0.00 0.00 36.82 38.44 1f4m h ILE 22 CO 0.09 0.47 -0.11 0.25 0.00 0.00 0.00 178.15 178.85 1f4m h LEU 23 N 0.60 -0.27 -0.46 1.44 5.85 -0.58 0.15 115.31 122.05 1f4m h LEU 23 Ca 0.07 -0.03 0.02 0.00 0.84 0.00 0.00 57.88 58.78 1f4m h LEU 23 Cb 0.83 0.07 -0.03 0.00 0.37 0.00 0.00 40.66 41.90 1f4m h LEU 23 CO 0.07 -0.14 0.27 -0.33 -0.34 0.00 0.00 178.44 177.97 1f4m h GLU 24 N -0.37 0.52 -0.85 1.25 4.39 -1.37 0.59 114.58 118.75 1f4m h GLU 24 Ca -0.03 -0.03 -0.01 0.00 0.34 0.00 0.00 59.36 59.63 1f4m h GLU 24 Cb 0.28 -0.12 -0.04 0.00 -0.10 0.00 0.00 28.75 28.77 1f4m h GLU 24 CO 0.05 0.34 0.50 0.87 -1.16 0.00 0.00 179.01 179.61 1f4m h LYS 25 N 0.53 1.16 -0.52 2.33 1.57 -1.24 -1.64 116.57 118.76 1f4m h LYS 25 Ca 0.19 -0.11 -0.10 0.00 -1.87 0.00 0.00 60.65 58.75 1f4m h LYS 25 Cb 0.03 -0.24 -0.02 0.00 0.08 0.00 0.00 32.23 32.08 1f4m h LYS 25 CO -0.09 0.82 -0.07 0.00 -0.57 0.00 0.00 179.45 179.54 1f4m h ALA 26 N 1.27 0.89 -0.64 3.86 0.00 -0.18 -2.19 119.26 122.27 1f4m h ALA 26 Ca 0.30 -0.33 -0.05 0.00 0.00 0.00 0.00 54.91 54.84 1f4m h ALA 26 Cb -0.02 -0.20 -0.03 0.00 0.00 0.00 0.00 17.79 17.54 1f4m h ALA 26 CO -0.05 0.64 0.19 -0.91 0.00 0.00 0.00 179.25 179.12 1f4m h ASN 27 N 0.85 0.90 -0.44 0.00 2.35 -0.47 0.81 115.58 119.59 1f4m h ASN 27 Ca 0.14 -0.16 -0.01 0.00 -0.55 0.00 0.00 56.30 55.72 1f4m h ASN 27 Cb 0.60 -0.23 -0.02 0.00 0.05 0.00 0.00 38.32 38.72 1f4m h ASN 27 CO 0.04 0.85 0.21 -0.08 -1.65 0.00 0.00 177.43 176.80 1f4m h GLU 28 N 0.94 0.63 -0.00 0.81 4.81 -1.04 -1.55 114.58 119.17 1f4m h GLU 28 Ca 0.21 -0.09 0.00 0.00 -0.13 0.00 0.00 59.36 59.35 1f4m h GLU 28 Cb 0.27 -0.11 0.00 0.00 0.63 0.00 0.00 28.75 29.54 1f4m h GLU 28 CO -0.01 0.53 -0.00 1.28 -0.73 0.00 0.00 179.01 180.08 1f4m n LEU 29 N -4.67 0.03 -3.61 1.64 4.77 -0.85 -4.89 117.00 109.43 1f4m n LEU 29 Ca 0.01 0.13 -0.24 0.00 -0.03 0.00 0.00 56.01 55.87 1f4m n LEU 29 Cb 0.11 -0.14 0.08 0.00 -2.33 0.00 0.00 43.42 41.14 1f4m n LEU 29 CO 0.36 0.01 0.24 -0.67 -1.33 0.00 0.00 177.39 176.00 1f4m n ASP 30 N -1.12 -6.16 -4.41 -1.43 2.03 0.14 -4.90 116.55 100.70 1f4m n ASP 30 Ca 0.19 -0.56 -0.44 0.00 0.52 0.00 0.00 54.79 54.50 1f4m n ASP 30 Cb 0.18 -4.98 0.00 0.00 -0.72 0.00 0.00 41.12 35.60 1f4m n ASP 30 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1f4m n ALA 31 N -4.97 4.04 -0.12 -1.67 0.00 0.24 -4.89 120.51 113.13 1f4m n ALA 31 Ca 0.00 -4.37 -0.06 0.00 0.00 0.00 0.00 53.44 49.01 1f4m n ALA 31 Cb 0.56 -2.88 0.00 0.00 0.00 0.00 0.00 19.45 17.14 1f4m n ALA 31 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 177.50 177.06 1f4m h ASP 32 N 6.92 -0.88 -0.75 0.00 3.32 -1.91 -0.04 116.42 123.08 1f4m h ASP 32 Ca 0.28 0.18 0.03 0.00 0.02 0.00 0.00 57.03 57.54 1f4m h ASP 32 Cb 0.86 0.44 -0.04 0.00 0.22 0.00 0.00 39.33 40.81 1f4m h ASP 32 CO 1.20 -0.28 0.48 -0.33 -1.72 0.00 0.00 179.24 178.59 1f4m h GLU 33 N -0.18 0.92 -0.13 3.56 5.08 -1.98 -1.05 114.58 120.79 1f4m h GLU 33 Ca 0.19 -0.06 -0.13 0.00 -1.00 0.00 0.00 59.36 58.36 1f4m h GLU 33 Cb 0.49 -0.21 -0.01 0.00 0.50 0.00 0.00 28.75 29.53 1f4m h GLU 33 CO -0.53 0.61 -0.50 0.82 -1.00 0.00 0.00 179.01 178.41 1f4m h ILE 34 N 0.95 1.34 -0.11 3.13 2.04 -1.86 -2.38 117.51 120.61 1f4m h ILE 34 Ca 0.30 -1.74 -0.10 0.00 1.00 0.00 0.00 64.86 64.31 1f4m h ILE 34 Cb -0.01 1.79 -0.01 0.00 -0.74 0.00 0.00 36.82 37.86 1f4m h ILE 34 CO -0.10 0.53 -0.39 0.00 0.00 0.00 0.00 178.15 178.18 1f4m h ALA 35 N 1.19 1.14 0.00 1.87 0.00 -0.43 -0.88 119.26 122.15 1f4m h ALA 35 Ca 0.01 -0.40 -0.23 0.00 0.00 0.00 0.00 54.91 54.29 1f4m h ALA 35 Cb 0.98 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.69 1f4m h ALA 35 CO 0.08 0.57 -0.95 -0.44 0.00 0.00 0.00 179.25 178.52 1f4m h ASP 36 N 0.20 0.55 -0.17 0.00 5.19 -1.06 -2.75 116.42 118.37 1f4m h ASP 36 Ca 0.02 -0.44 -0.08 0.00 -0.62 0.00 0.00 57.03 55.90 1f4m h ASP 36 Cb 0.79 -0.17 -0.00 0.00 0.18 0.00 0.00 39.33 40.13 1f4m h ASP 36 CO 0.06 1.24 -0.22 0.40 -3.12 0.00 0.00 179.24 177.60 1f4m h ILE 37 N 0.24 1.34 -0.85 0.35 2.04 -1.28 -2.62 117.51 116.73 1f4m h ILE 37 Ca -0.08 -1.42 0.04 0.00 1.00 0.00 0.00 64.86 64.39 1f4m h ILE 37 Cb 1.59 1.87 -0.05 0.00 -0.74 0.00 0.00 36.82 39.49 1f4m h ILE 37 CO 0.17 0.43 0.56 0.00 0.00 0.00 0.00 178.15 179.30 1f4m h ALA 38 N 0.61 1.49 -0.53 1.87 0.00 -1.22 0.12 119.26 121.60 1f4m h ALA 38 Ca 0.02 -0.04 -0.02 0.00 0.00 0.00 0.00 54.91 54.87 1f4m h ALA 38 Cb 0.78 -0.29 -0.02 0.00 0.00 0.00 0.00 17.79 18.26 1f4m h ALA 38 CO 0.05 0.42 0.26 1.49 0.00 0.00 0.00 179.25 181.47 1f4m h GLU 39 N 1.04 0.77 -0.64 0.00 4.57 -1.42 -0.80 114.58 118.09 1f4m h GLU 39 Ca 0.34 -0.11 -0.02 0.00 -1.18 0.00 0.00 59.36 58.39 1f4m h GLU 39 Cb 0.06 -0.14 -0.03 0.00 -0.16 0.00 0.00 28.75 28.48 1f4m h GLU 39 CO -0.10 0.63 0.31 1.03 -1.18 0.00 0.00 179.01 179.69 1f4m h SER 40 N 0.71 0.83 0.22 1.04 0.87 -0.80 -0.76 113.55 115.67 1f4m h SER 40 Ca 0.18 -0.13 -0.04 0.00 -1.23 0.00 0.00 61.79 60.58 1f4m h SER 40 Cb 0.11 -0.21 -0.01 0.00 -0.44 0.00 0.00 62.40 61.85 1f4m h SER 40 CO -0.02 0.73 -0.17 0.40 -0.53 0.00 0.00 176.83 177.24 1f4m h ILE 41 N 0.88 0.98 0.02 2.23 2.04 -0.42 0.20 117.51 123.44 1f4m h ILE 41 Ca 0.22 -0.60 -0.00 0.00 1.00 0.00 0.00 64.86 65.48 1f4m h ILE 41 Cb 0.12 1.34 0.00 0.00 -0.74 0.00 0.00 36.82 37.54 1f4m h ILE 41 CO -0.03 0.16 -0.01 -0.74 0.00 0.00 0.00 178.15 177.54 1f4m h HIS 42 N 0.00 -0.02 -0.36 1.37 2.76 -0.29 -0.23 115.15 118.38 1f4m h HIS 42 Ca -0.00 -0.00 -0.01 0.00 -2.20 0.00 0.00 60.37 58.16 1f4m h HIS 42 Cb 0.32 0.01 -0.02 0.00 1.55 0.00 0.00 27.41 29.27 1f4m h HIS 42 CO 0.00 0.54 0.19 -0.44 -1.30 0.00 0.00 177.93 176.92 1f4m h ASP 43 N -0.61 0.43 -0.01 3.26 3.32 -0.64 0.12 116.42 122.29 1f4m h ASP 43 Ca -0.00 -0.02 -0.13 0.00 0.02 0.00 0.00 57.03 56.89 1f4m h ASP 43 Cb 0.58 -0.11 0.01 0.00 0.22 0.00 0.00 39.33 40.03 1f4m h ASP 43 CO 0.00 0.35 -0.50 0.45 -1.72 0.00 0.00 179.24 177.82 1f4m h HIS 44 N 0.49 0.52 -0.61 4.55 3.86 -0.59 -2.28 115.15 121.09 1f4m h HIS 44 Ca 0.13 -0.28 0.01 0.00 -1.16 0.00 0.00 60.37 59.07 1f4m h HIS 44 Cb 0.02 -0.06 -0.03 0.00 1.06 0.00 0.00 27.41 28.39 1f4m h HIS 44 CO 0.00 1.08 0.40 0.00 0.86 0.00 0.00 177.93 180.28 1f4m h ALA 45 N 0.32 0.78 0.00 2.45 0.00 -0.64 -0.06 119.26 122.12 1f4m h ALA 45 Ca -0.06 -0.04 -0.00 0.00 0.00 0.00 0.00 54.91 54.81 1f4m h ALA 45 Cb 1.21 -0.24 -0.00 0.00 0.00 0.00 0.00 17.79 18.77 1f4m h ALA 45 CO 0.10 0.19 -0.01 0.22 0.00 0.00 0.00 179.25 179.75 1f4m h ASP 46 N 0.81 0.00 0.99 0.00 -0.00 -0.77 0.17 116.42 117.62 1f4m h ASP 46 Ca 0.23 0.00 -0.18 0.00 -0.00 0.00 0.00 57.03 57.08 1f4m h ASP 46 Cb -0.07 0.00 -0.03 0.00 -0.00 0.00 0.00 39.33 39.23 1f4m h ASP 46 CO -0.06 0.01 -1.08 -0.08 -0.00 0.00 0.00 179.24 178.03 1f4m h GLU 47 N 0.00 0.00 0.16 0.28 4.57 -0.43 -2.72 114.58 116.44 1f4m h GLU 47 Ca -0.00 0.00 -0.26 0.00 -1.18 0.00 0.00 59.36 57.92 1f4m h GLU 47 Cb 0.06 0.00 0.03 0.00 -0.16 0.00 0.00 28.75 28.68 1f4m h GLU 47 CO 0.00 0.54 -1.13 0.82 -1.18 0.00 0.00 179.01 178.07 1f4m h ILE 48 N 0.00 1.37 -0.36 2.32 2.04 -0.14 -2.80 117.51 119.94 1f4m h ILE 48 Ca -0.10 -2.53 0.03 0.00 1.00 0.00 0.00 64.86 63.27 1f4m h ILE 48 Cb 1.63 2.96 -0.03 0.00 -0.74 0.00 0.00 36.82 40.64 1f4m h ILE 48 CO 0.08 0.75 0.17 0.22 0.00 0.00 0.00 178.15 179.36 1f4m h TYR 49 N -0.00 0.31 -0.21 1.37 3.20 -0.82 -0.00 116.97 120.81 1f4m h TYR 49 Ca -0.19 0.02 -0.06 0.00 3.14 0.00 0.00 58.73 61.64 1f4m h TYR 49 Cb 1.86 -0.09 -0.01 0.00 1.54 0.00 0.00 36.73 40.04 1f4m h TYR 49 CO 0.15 0.16 -0.10 0.00 -1.64 0.00 0.00 178.16 176.73 1f4m h ARG 50 N 0.35 0.44 -0.61 1.82 3.08 -1.58 -2.41 114.38 115.47 1f4m h ARG 50 Ca 0.15 -0.19 0.05 0.00 0.07 0.00 0.00 59.98 60.06 1f4m h ARG 50 Cb 0.08 -0.01 -0.05 0.00 0.08 0.00 0.00 29.97 30.07 1f4m h ARG 50 CO -0.12 0.72 0.34 0.77 -1.07 0.00 0.00 179.97 180.62 1f4m h SER 51 N 0.14 0.51 0.64 7.04 0.02 -1.34 -0.53 113.55 120.03 1f4m h SER 51 Ca 0.05 0.02 -0.03 0.00 -0.84 0.00 0.00 61.79 60.99 1f4m h SER 51 Cb 0.59 -0.08 -0.00 0.00 0.14 0.00 0.00 62.40 63.05 1f4m h SER 51 CO 0.03 0.34 -0.36 0.00 -1.14 0.00 0.00 176.83 175.70 1f4m h ALA 52 N 1.31 -0.95 -0.52 3.77 0.00 -0.95 -0.40 119.26 121.53 1f4m h ALA 52 Ca 0.27 -0.19 0.10 0.00 0.00 0.00 0.00 54.91 55.08 1f4m h ALA 52 Cb 0.13 0.43 -0.11 0.00 0.00 0.00 0.00 17.79 18.25 1f4m h ALA 52 CO -0.16 -1.04 -0.30 -0.07 0.00 0.00 0.00 179.25 177.68 1f4m h LEU 53 N -0.94 -1.04 -0.27 0.00 3.38 -1.17 -0.98 115.31 114.29 1f4m h LEU 53 Ca -0.08 0.21 0.06 0.00 0.09 0.00 0.00 57.88 58.15 1f4m h LEU 53 Cb 0.75 0.52 -0.08 0.00 0.09 0.00 0.00 40.66 41.94 1f4m h LEU 53 CO 0.10 -0.30 -0.42 0.00 0.09 0.00 0.00 178.44 177.92 1f4m h ALA 54 N 1.00 -0.50 0.00 1.53 0.00 -0.81 -3.52 119.26 116.96 1f4m h ALA 54 Ca 0.22 0.03 0.00 0.00 0.00 0.00 0.00 54.91 55.16 1f4m h ALA 54 Cb 0.53 0.83 0.00 0.00 0.00 0.00 0.00 17.79 19.15 1f4m h ALA 54 CO -0.62 -0.89 0.00 -2.13 0.00 0.00 0.00 179.25 175.61