#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 0.86 -0.38 1.09 1.63 -2.05 -2.27 116.57 115.45 1f4m h LYS 3 Ca 0.00 -0.48 -0.08 0.00 -0.85 0.00 0.00 60.65 59.24 1f4m h LYS 3 Cb 0.00 0.03 -0.02 0.00 -0.60 0.00 0.00 32.23 31.64 1f4m h LYS 3 CO 0.00 1.12 -0.10 1.96 -3.45 0.00 0.00 179.45 178.98 1f4m h GLN 4 N 0.65 0.66 0.07 1.90 7.50 -2.05 -2.49 115.11 121.36 1f4m h GLN 4 Ca 0.05 -0.20 -0.00 0.00 0.50 0.00 0.00 58.65 58.99 1f4m h GLN 4 Cb 0.99 -0.06 0.00 0.00 0.05 0.00 0.00 27.48 28.45 1f4m h GLN 4 CO 0.09 0.75 -0.03 0.93 -1.50 0.00 0.00 178.83 179.07 1f4m h GLU 5 N 0.61 -0.09 -0.74 1.46 5.08 -1.94 0.33 114.58 119.29 1f4m h GLU 5 Ca 0.11 0.01 0.06 0.00 -1.00 0.00 0.00 59.36 58.53 1f4m h GLU 5 Cb 0.53 0.02 -0.06 0.00 0.50 0.00 0.00 28.75 29.74 1f4m h GLU 5 CO 0.03 0.08 0.43 0.87 -1.00 0.00 0.00 179.01 179.43 1f4m h LYS 6 N -0.25 0.77 0.17 2.33 1.57 -1.36 0.22 116.57 120.02 1f4m h LYS 6 Ca -0.01 -0.05 -0.01 0.00 -1.87 0.00 0.00 60.65 58.72 1f4m h LYS 6 Cb 0.21 -0.17 0.00 0.00 0.08 0.00 0.00 32.23 32.35 1f4m h LYS 6 CO 0.02 0.51 -0.08 1.15 -0.57 0.00 0.00 179.45 180.47 1f4m h THR 7 N 0.79 0.94 -0.41 -0.16 2.02 -1.25 0.16 112.91 115.00 1f4m h THR 7 Ca 0.33 -0.50 0.03 0.00 0.77 0.00 0.00 66.41 67.03 1f4m h THR 7 Cb 0.18 1.24 -0.03 0.00 -1.74 0.00 0.00 68.15 67.79 1f4m h THR 7 CO -0.18 0.12 0.21 0.40 0.37 0.00 0.00 175.52 176.44 1f4m h ILE 8 N -0.47 0.99 0.35 3.11 2.04 0.07 -1.67 117.51 121.93 1f4m h ILE 8 Ca -0.02 -0.15 -0.02 0.00 1.00 0.00 0.00 64.86 65.67 1f4m h ILE 8 Cb 0.36 0.52 0.00 0.00 -0.74 0.00 0.00 36.82 36.96 1f4m h ILE 8 CO 0.04 0.08 -0.17 0.25 0.00 0.00 0.00 178.15 178.35 1f4m h LEU 9 N 0.43 -0.40 -1.20 1.44 5.85 -0.52 -2.81 115.31 118.10 1f4m h LEU 9 Ca 0.17 -0.16 -0.07 0.00 0.84 0.00 0.00 57.88 58.67 1f4m h LEU 9 Cb 0.07 0.10 -0.01 0.00 0.37 0.00 0.00 40.66 41.19 1f4m h LEU 9 CO -0.11 0.00 -0.22 0.78 -0.34 0.00 0.00 178.44 178.55 1f4m h ASN 10 N -0.87 0.27 1.19 1.25 2.35 -0.70 -2.80 115.58 116.26 1f4m h ASN 10 Ca -0.05 -0.07 -0.16 0.00 -0.55 0.00 0.00 56.30 55.47 1f4m h ASN 10 Cb 0.53 -0.07 -0.02 0.00 0.05 0.00 0.00 38.32 38.81 1f4m h ASN 10 CO 0.08 0.50 -0.83 0.24 -1.65 0.00 0.00 177.43 175.77 1f4m h MET 11 N 0.25 0.00 0.00 0.81 2.86 -1.41 -1.52 114.93 115.93 1f4m h MET 11 Ca 0.04 0.00 -0.12 0.00 -2.06 0.00 0.00 59.70 57.57 1f4m h MET 11 Cb 0.54 0.00 -0.02 0.00 0.06 0.00 0.00 31.60 32.18 1f4m h MET 11 CO 0.04 0.68 -0.55 0.00 1.06 0.00 0.00 176.91 178.14 1f4m h ALA 12 N 1.27 0.80 0.21 6.32 0.00 -1.41 -1.18 119.26 125.26 1f4m h ALA 12 Ca -0.03 -0.50 -0.30 0.00 0.00 0.00 0.00 54.91 54.08 1f4m h ALA 12 Cb 1.59 -0.09 0.03 0.00 0.00 0.00 0.00 17.79 19.32 1f4m h ALA 12 CO 0.09 0.69 -1.30 -0.09 0.00 0.00 0.00 179.25 178.64 1f4m h ARG 13 N 0.00 0.51 -0.50 0.00 2.43 -1.47 -2.95 114.38 112.40 1f4m h ARG 13 Ca -0.01 -0.83 -0.12 0.00 -0.81 0.00 0.00 59.98 58.21 1f4m h ARG 13 Cb 1.20 0.30 -0.02 0.00 -0.42 0.00 0.00 29.97 31.04 1f4m h ARG 13 CO 0.07 1.39 -0.17 0.35 -1.51 0.00 0.00 179.97 180.10 1f4m h PHE 14 N 0.06 1.12 -0.95 2.20 3.57 -1.22 -2.67 116.94 119.06 1f4m h PHE 14 Ca -0.22 -0.25 -0.00 0.00 3.53 0.00 0.00 57.97 61.02 1f4m h PHE 14 Cb 2.01 -0.27 -0.05 0.00 2.79 0.00 0.00 35.95 40.44 1f4m h PHE 14 CO 0.14 1.07 0.58 0.82 -2.23 0.00 0.00 178.31 178.69 1f4m h ILE 15 N 0.86 1.26 -0.91 1.41 2.04 -1.30 0.50 117.51 121.37 1f4m h ILE 15 Ca 0.12 -0.54 0.10 0.00 1.00 0.00 0.00 64.86 65.55 1f4m h ILE 15 Cb 0.74 -0.09 -0.07 0.00 -0.74 0.00 0.00 36.82 36.66 1f4m h ILE 15 CO 0.06 0.27 0.58 -0.09 0.00 0.00 0.00 178.15 178.97 1f4m h ARG 16 N 1.30 0.86 -0.05 2.37 2.43 -1.30 0.39 114.38 120.39 1f4m h ARG 16 Ca 0.34 -0.05 -0.25 0.00 -0.81 0.00 0.00 59.98 59.21 1f4m h ARG 16 Cb -0.08 -0.19 0.02 0.00 -0.42 0.00 0.00 29.97 29.30 1f4m h ARG 16 CO -0.07 0.57 -0.95 1.03 -1.51 0.00 0.00 179.97 179.04 1f4m h SER 17 N 0.88 0.88 0.24 -3.80 0.87 -0.94 -3.02 113.55 108.66 1f4m h SER 17 Ca 0.43 -0.66 -0.09 0.00 -1.23 0.00 0.00 61.79 60.24 1f4m h SER 17 Cb 0.45 -0.27 -0.01 0.00 -0.44 0.00 0.00 62.40 62.13 1f4m h SER 17 CO -0.19 1.46 -0.35 1.56 -0.53 0.00 0.00 176.83 178.78 1f4m h GLN 18 N 0.42 0.17 -0.62 2.24 4.20 0.25 -1.88 115.11 119.90 1f4m h GLN 18 Ca -0.10 -0.07 -0.05 0.00 0.06 0.00 0.00 58.65 58.49 1f4m h GLN 18 Cb 1.59 -0.01 -0.03 0.00 0.30 0.00 0.00 27.48 29.34 1f4m h GLN 18 CO 0.19 0.51 0.20 0.00 -0.67 0.00 0.00 178.83 179.06 1f4m h ALA 19 N 1.49 0.81 -0.02 3.87 0.00 -0.25 -1.89 119.26 123.27 1f4m h ALA 19 Ca 0.02 -0.20 -0.16 0.00 0.00 0.00 0.00 54.91 54.57 1f4m h ALA 19 Cb 0.70 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 18.23 1f4m h ALA 19 CO 0.05 0.48 -0.70 -0.07 0.00 0.00 0.00 179.25 179.01 1f4m h LEU 20 N 0.89 0.15 -0.87 0.00 3.38 -1.37 -1.75 115.31 115.75 1f4m h LEU 20 Ca 0.20 -0.10 -0.05 0.00 0.09 0.00 0.00 57.88 58.02 1f4m h LEU 20 Cb 0.28 -0.05 -0.03 0.00 0.09 0.00 0.00 40.66 40.95 1f4m h LEU 20 CO -0.01 0.80 0.28 0.74 0.09 0.00 0.00 178.44 180.34 1f4m h THR 21 N 0.09 1.25 -0.22 0.22 2.02 -1.09 -1.72 112.91 113.45 1f4m h THR 21 Ca -0.02 -0.82 -0.12 0.00 0.77 0.00 0.00 66.41 66.23 1f4m h THR 21 Cb 1.24 0.38 -0.01 0.00 -1.74 0.00 0.00 68.15 68.02 1f4m h THR 21 CO 0.10 0.33 -0.37 0.40 0.37 0.00 0.00 175.52 176.35 1f4m h ILE 22 N 1.08 1.29 -0.77 3.11 2.04 -1.15 -2.80 117.51 120.32 1f4m h ILE 22 Ca 0.25 -1.49 -0.02 0.00 1.00 0.00 0.00 64.86 64.60 1f4m h ILE 22 Cb 0.23 1.52 -0.04 0.00 -0.74 0.00 0.00 36.82 37.80 1f4m h ILE 22 CO -0.02 0.47 0.39 0.25 0.00 0.00 0.00 178.15 179.24 1f4m h LEU 23 N 0.41 0.98 -0.03 1.44 6.46 -0.67 0.41 115.31 124.30 1f4m h LEU 23 Ca 0.04 -0.10 -0.01 0.00 -0.12 0.00 0.00 57.88 57.70 1f4m h LEU 23 Cb 0.83 -0.25 -0.00 0.00 -0.73 0.00 0.00 40.66 40.51 1f4m h LEU 23 CO 0.07 0.81 -0.02 -0.33 -0.62 0.00 0.00 178.44 178.35 1f4m h GLU 24 N 1.08 0.06 -0.40 1.25 4.39 -1.19 -0.75 114.58 119.02 1f4m h GLU 24 Ca 0.27 -0.03 -0.02 0.00 0.34 0.00 0.00 59.36 59.91 1f4m h GLU 24 Cb 0.07 -0.00 -0.02 0.00 -0.10 0.00 0.00 28.75 28.70 1f4m h GLU 24 CO -0.04 0.50 0.15 0.87 -1.16 0.00 0.00 179.01 179.33 1f4m h LYS 25 N -0.37 0.57 -0.35 2.33 1.57 -1.37 0.42 116.57 119.37 1f4m h LYS 25 Ca 0.01 -0.08 -0.10 0.00 -1.87 0.00 0.00 60.65 58.61 1f4m h LYS 25 Cb 0.48 -0.11 -0.01 0.00 0.08 0.00 0.00 32.23 32.68 1f4m h LYS 25 CO 0.01 0.48 -0.18 0.00 -0.57 0.00 0.00 179.45 179.19 1f4m h ALA 26 N 1.60 0.49 -0.48 3.86 0.00 -0.86 -1.45 119.26 122.42 1f4m h ALA 26 Ca 0.14 -0.35 -0.01 0.00 0.00 0.00 0.00 54.91 54.69 1f4m h ALA 26 Cb 0.13 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 17.78 1f4m h ALA 26 CO -0.01 0.43 0.26 -0.91 0.00 0.00 0.00 179.25 179.01 1f4m h ASN 27 N 0.52 0.61 0.34 0.00 2.35 -0.29 0.79 115.58 119.90 1f4m h ASN 27 Ca 0.08 -0.10 -0.01 0.00 -0.55 0.00 0.00 56.30 55.72 1f4m h ASN 27 Cb 0.72 -0.15 -0.00 0.00 0.05 0.00 0.00 38.32 38.93 1f4m h ASN 27 CO 0.05 0.53 -0.21 -0.33 -1.65 0.00 0.00 177.43 175.83 1f4m h GLU 28 N 0.63 -0.50 0.00 0.81 5.08 -0.84 -1.12 114.58 118.64 1f4m h GLU 28 Ca 0.17 0.03 0.00 0.00 -1.00 0.00 0.00 59.36 58.56 1f4m h GLU 28 Cb 0.06 0.11 0.00 0.00 0.50 0.00 0.00 28.75 29.43 1f4m h GLU 28 CO -0.03 -0.34 0.00 1.28 -1.00 0.00 0.00 179.01 178.93 1f4m n LEU 29 N -5.33 0.00 -2.66 1.33 4.77 -0.56 -4.88 117.00 109.66 1f4m n LEU 29 Ca -0.10 0.48 -0.12 0.00 -0.03 0.00 0.00 56.01 56.24 1f4m n LEU 29 Cb 0.24 -0.48 0.06 0.00 -2.33 0.00 0.00 43.42 40.92 1f4m n LEU 29 CO 0.34 -0.26 0.09 -0.67 -1.33 0.00 0.00 177.39 175.56 1f4m n ASP 30 N -1.48 -2.43 -4.23 -1.43 -0.08 0.19 -4.97 116.55 102.12 1f4m n ASP 30 Ca 0.04 -0.42 -0.41 0.00 -1.51 0.00 0.00 54.79 52.48 1f4m n ASP 30 Cb 0.15 -3.67 -0.04 0.00 2.34 0.00 0.00 41.12 39.90 1f4m n ASP 30 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 1f4m s ALA 31 N -3.24 4.29 0.22 -1.67 0.00 0.22 -4.93 121.76 116.64 1f4m s ALA 31 Ca 0.05 -3.66 -0.08 0.00 0.00 0.00 0.00 51.96 48.28 1f4m s ALA 31 Cb -0.02 -3.20 0.31 0.00 0.00 0.00 0.00 23.12 20.21 1f4m s ALA 31 CO 0.50 -2.19 1.78 -0.44 0.00 0.00 0.00 175.76 175.41 1f4m h ASP 32 N 6.74 0.45 0.49 0.00 3.32 -1.93 0.58 116.42 126.07 1f4m h ASP 32 Ca 0.13 0.06 -0.02 0.00 0.02 0.00 0.00 57.03 57.21 1f4m h ASP 32 Cb 0.90 -0.02 0.00 0.00 0.22 0.00 0.00 39.33 40.43 1f4m h ASP 32 CO 0.86 0.27 -0.23 -0.33 -1.72 0.00 0.00 179.24 178.09 1f4m h GLU 33 N 0.60 -0.63 -0.52 3.56 5.08 -1.98 -0.76 114.58 119.92 1f4m h GLU 33 Ca 0.33 0.04 0.10 0.00 -1.00 0.00 0.00 59.36 58.83 1f4m h GLU 33 Cb 0.33 0.14 -0.03 0.00 0.50 0.00 0.00 28.75 29.69 1f4m h GLU 33 CO -0.25 -0.36 0.36 0.82 -1.00 0.00 0.00 179.01 178.57 1f4m h ILE 34 N -0.79 0.87 -0.48 3.13 2.04 -1.93 -2.01 117.51 118.34 1f4m h ILE 34 Ca -0.07 -0.10 -0.12 0.00 1.00 0.00 0.00 64.86 65.58 1f4m h ILE 34 Cb 0.56 0.56 -0.01 0.00 -0.74 0.00 0.00 36.82 37.19 1f4m h ILE 34 CO 0.11 0.05 -0.17 0.00 0.00 0.00 0.00 178.15 178.14 1f4m h ALA 35 N 1.74 0.67 -0.37 1.87 0.00 -0.40 -1.90 119.26 120.87 1f4m h ALA 35 Ca 0.24 -0.37 -0.10 0.00 0.00 0.00 0.00 54.91 54.68 1f4m h ALA 35 Cb 0.58 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 18.19 1f4m h ALA 35 CO -0.05 0.62 -0.16 -0.44 0.00 0.00 0.00 179.25 179.22 1f4m h ASP 36 N 0.81 0.78 -0.53 0.00 3.32 -0.42 -2.41 116.42 117.96 1f4m h ASP 36 Ca 0.11 -0.40 -0.05 0.00 0.02 0.00 0.00 57.03 56.72 1f4m h ASP 36 Cb 0.74 -0.21 -0.02 0.00 0.22 0.00 0.00 39.33 40.05 1f4m h ASP 36 CO 0.06 1.00 0.14 0.40 -1.72 0.00 0.00 179.24 179.11 1f4m h ILE 37 N 0.55 1.24 -0.66 0.35 2.04 -1.47 -1.54 117.51 118.02 1f4m h ILE 37 Ca 0.09 -0.85 0.06 0.00 1.00 0.00 0.00 64.86 65.15 1f4m h ILE 37 Cb 0.69 0.78 -0.06 0.00 -0.74 0.00 0.00 36.82 37.50 1f4m h ILE 37 CO 0.05 0.31 0.37 0.00 0.00 0.00 0.00 178.15 178.88 1f4m h ALA 38 N 1.01 0.89 0.51 1.87 0.00 -1.30 0.17 119.26 122.40 1f4m h ALA 38 Ca 0.17 0.02 -0.01 0.00 0.00 0.00 0.00 54.91 55.08 1f4m h ALA 38 Cb 0.33 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 17.98 1f4m h ALA 38 CO 0.00 0.04 -0.44 1.49 0.00 0.00 0.00 179.25 180.34 1f4m h GLU 39 N 0.67 -0.91 -0.58 0.00 4.57 -1.02 -0.23 114.58 117.09 1f4m h GLU 39 Ca 0.30 0.06 0.11 0.00 -1.18 0.00 0.00 59.36 58.65 1f4m h GLU 39 Cb 0.19 0.21 -0.11 0.00 -0.16 0.00 0.00 28.75 28.87 1f4m h GLU 39 CO -0.18 -0.60 -0.24 1.03 -1.18 0.00 0.00 179.01 177.83 1f4m h SER 40 N -0.94 -0.83 -0.99 1.04 0.87 -0.47 0.11 113.55 112.34 1f4m h SER 40 Ca -0.06 0.20 0.07 0.00 -1.23 0.00 0.00 61.79 60.77 1f4m h SER 40 Cb 0.81 0.46 -0.07 0.00 -0.44 0.00 0.00 62.40 63.17 1f4m h SER 40 CO -0.03 -0.26 0.64 0.40 -0.53 0.00 0.00 176.83 177.06 1f4m h ILE 41 N -0.09 1.08 -0.10 2.23 2.04 -0.40 0.33 117.51 122.59 1f4m h ILE 41 Ca 0.26 -0.40 0.01 0.00 1.00 0.00 0.00 64.86 65.73 1f4m h ILE 41 Cb 0.50 -0.18 -0.01 0.00 -0.74 0.00 0.00 36.82 36.40 1f4m h ILE 41 CO -0.64 0.21 0.05 -0.74 0.00 0.00 0.00 178.15 177.03 1f4m h HIS 42 N 1.16 0.09 -0.85 1.37 2.76 0.99 0.35 115.15 121.02 1f4m h HIS 42 Ca 0.43 0.00 -0.03 0.00 -2.20 0.00 0.00 60.37 58.58 1f4m h HIS 42 Cb 0.18 -0.03 -0.04 0.00 1.55 0.00 0.00 27.41 29.07 1f4m h HIS 42 CO -0.00 0.06 0.42 -0.44 -1.30 0.00 0.00 177.93 176.66 1f4m h ASP 43 N 0.11 1.10 0.30 3.26 3.32 0.33 -1.41 116.42 123.43 1f4m h ASP 43 Ca 0.04 -0.13 -0.17 0.00 0.02 0.00 0.00 57.03 56.79 1f4m h ASP 43 Cb 0.00 -0.28 -0.01 0.00 0.22 0.00 0.00 39.33 39.26 1f4m h ASP 43 CO -0.03 0.92 -0.68 0.45 -1.72 0.00 0.00 179.24 178.18 1f4m h HIS 44 N 1.20 0.45 -0.31 4.55 3.86 -0.20 -2.72 115.15 121.98 1f4m h HIS 44 Ca 0.29 -0.19 -0.11 0.00 -1.16 0.00 0.00 60.37 59.20 1f4m h HIS 44 Cb 0.10 -0.07 -0.01 0.00 1.06 0.00 0.00 27.41 28.48 1f4m h HIS 44 CO 0.01 0.91 -0.26 0.00 0.86 0.00 0.00 177.93 179.46 1f4m h ALA 45 N 1.04 0.96 -0.05 2.45 0.00 -0.67 -2.02 119.26 120.97 1f4m h ALA 45 Ca -0.02 -0.37 -0.07 0.00 0.00 0.00 0.00 54.91 54.45 1f4m h ALA 45 Cb 1.23 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.88 1f4m h ALA 45 CO 0.11 0.60 -0.30 0.22 0.00 0.00 0.00 179.25 179.88 1f4m h ASP 46 N 0.54 0.09 -0.21 0.00 3.58 -1.19 -0.45 116.42 118.78 1f4m h ASP 46 Ca 0.07 -0.03 -0.14 0.00 0.42 0.00 0.00 57.03 57.35 1f4m h ASP 46 Cb 0.73 -0.02 0.00 0.00 1.72 0.00 0.00 39.33 41.76 1f4m h ASP 46 CO 0.06 0.39 -0.43 -0.33 -2.88 0.00 0.00 179.24 176.05 1f4m h GLU 47 N 0.08 0.67 -0.67 0.28 4.39 -1.12 -0.46 114.58 117.75 1f4m h GLU 47 Ca 0.01 -0.43 -0.04 0.00 0.34 0.00 0.00 59.36 59.24 1f4m h GLU 47 Cb 0.58 0.05 -0.03 0.00 -0.10 0.00 0.00 28.75 29.26 1f4m h GLU 47 CO 0.04 1.05 0.27 0.82 -1.16 0.00 0.00 179.01 180.03 1f4m h ILE 48 N 0.37 1.23 -0.30 3.13 2.04 -1.07 -1.16 117.51 121.75 1f4m h ILE 48 Ca 0.01 -0.71 -0.03 0.00 1.00 0.00 0.00 64.86 65.12 1f4m h ILE 48 Cb 1.03 0.43 -0.01 0.00 -0.74 0.00 0.00 36.82 37.53 1f4m h ILE 48 CO 0.10 0.29 0.07 0.22 0.00 0.00 0.00 178.15 178.82 1f4m h TYR 49 N 0.96 0.50 -0.35 1.37 3.20 -0.84 0.16 116.97 121.97 1f4m h TYR 49 Ca 0.23 -0.06 -0.16 0.00 3.14 0.00 0.00 58.73 61.88 1f4m h TYR 49 Cb 0.18 -0.14 -0.01 0.00 1.54 0.00 0.00 36.73 38.30 1f4m h TYR 49 CO 0.01 0.54 -0.40 0.00 -1.64 0.00 0.00 178.16 176.68 1f4m h ARG 50 N 0.31 0.85 -0.53 1.82 3.08 -0.92 -0.54 114.38 118.46 1f4m h ARG 50 Ca 0.09 -0.45 -0.11 0.00 0.07 0.00 0.00 59.98 59.59 1f4m h ARG 50 Cb 0.29 0.02 -0.02 0.00 0.08 0.00 0.00 29.97 30.34 1f4m h ARG 50 CO 0.00 1.09 -0.09 0.77 -1.07 0.00 0.00 179.97 180.67 1f4m h SER 51 N 0.69 1.00 -0.30 7.04 0.02 -1.14 0.02 113.55 120.88 1f4m h SER 51 Ca 0.05 -0.34 -0.12 0.00 -0.84 0.00 0.00 61.79 60.54 1f4m h SER 51 Cb 0.97 -0.27 -0.01 0.00 0.14 0.00 0.00 62.40 63.24 1f4m h SER 51 CO 0.09 1.11 -0.26 0.00 -1.14 0.00 0.00 176.83 176.63 1f4m h ALA 52 N 0.92 0.44 -0.94 3.77 0.00 -0.93 0.39 119.26 122.91 1f4m h ALA 52 Ca 0.14 -0.39 0.09 0.00 0.00 0.00 0.00 54.91 54.75 1f4m h ALA 52 Cb 0.65 -0.10 -0.07 0.00 0.00 0.00 0.00 17.79 18.27 1f4m h ALA 52 CO 0.04 0.44 0.61 1.25 0.00 0.00 0.00 179.25 181.59 1f4m h LEU 53 N 0.47 0.89 0.21 0.00 5.85 -0.91 0.43 115.31 122.24 1f4m h LEU 53 Ca 0.05 0.02 -0.31 0.00 0.84 0.00 0.00 57.88 58.49 1f4m h LEU 53 Cb 0.83 -0.16 0.04 0.00 0.37 0.00 0.00 40.66 41.74 1f4m h LEU 53 CO 0.07 0.52 -1.35 0.00 -0.34 0.00 0.00 178.44 177.34 1f4m h ALA 54 N 1.53 -0.12 -0.37 1.25 0.00 -0.64 -1.94 119.26 118.97 1f4m h ALA 54 Ca 0.44 -0.82 -0.13 0.00 0.00 0.00 0.00 54.91 54.41 1f4m h ALA 54 Cb 0.37 0.15 -0.01 0.00 0.00 0.00 0.00 17.79 18.30 1f4m h ALA 54 CO -0.19 0.65 -0.26 -0.09 0.00 0.00 0.00 179.25 179.36 1f4m h ARG 55 N 0.13 0.83 -0.02 0.00 9.65 0.29 -3.19 114.38 122.08 1f4m h ARG 55 Ca -0.23 -0.40 0.00 0.00 -1.10 0.00 0.00 59.98 58.26 1f4m h ARG 55 Cb 2.04 -0.01 0.00 0.00 -1.39 0.00 0.00 29.97 30.62 1f4m h ARG 55 CO 0.25 1.03 -0.21 1.19 2.80 0.00 0.00 179.97 185.03 1f4m n PHE 56 N -4.20 0.00 0.17 2.20 0.99 0.15 -5.07 117.46 111.70 1f4m n PHE 56 Ca -0.02 0.00 0.02 0.00 -0.00 0.00 0.00 57.45 57.45 1f4m n PHE 56 Cb 0.46 -0.04 0.02 0.00 -1.00 0.00 0.00 39.48 38.92 1f4m n PHE 56 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.76 177.17