#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1f81 h PRO 2 N 0.00 0.18 -0.09 4.33 0.11 -2.05 0.81 132.00 135.29 1f81 h PRO 2 Ca 0.00 -0.01 0.04 0.00 0.11 0.00 0.00 66.00 66.14 1f81 h PRO 2 Cb 0.00 -0.04 -0.06 0.00 0.11 0.00 0.00 31.00 31.01 1f81 h PRO 2 CO 0.00 0.12 -0.40 0.37 -0.21 0.00 0.00 178.00 177.87 1f81 h GLN 3 N 0.18 -0.49 0.05 1.05 5.75 -2.05 0.12 115.11 119.73 1f81 h GLN 3 Ca 0.33 0.03 0.02 0.00 -0.15 0.00 0.00 58.65 58.88 1f81 h GLN 3 Cb 0.53 0.11 -0.02 0.00 1.07 0.00 0.00 27.48 29.17 1f81 h GLN 3 CO -0.48 -0.32 -0.14 0.93 -2.65 0.00 0.00 178.83 176.16 1f81 h GLU 4 N -0.51 -0.25 -0.50 1.69 5.08 -1.79 0.49 114.58 118.78 1f81 h GLU 4 Ca 0.07 0.02 0.10 0.00 -1.00 0.00 0.00 59.36 58.55 1f81 h GLU 4 Cb 0.62 0.06 -0.10 0.00 0.50 0.00 0.00 28.75 29.84 1f81 h GLU 4 CO -0.36 -0.17 -0.13 0.77 -1.00 0.00 0.00 179.01 178.12 1f81 h SER 5 N -0.26 -0.48 0.24 1.42 0.02 -0.35 0.19 113.55 114.32 1f81 h SER 5 Ca 0.03 0.15 -0.01 0.00 -0.84 0.00 0.00 61.79 61.12 1f81 h SER 5 Cb 0.30 0.31 0.00 0.00 0.14 0.00 0.00 62.40 63.15 1f81 h SER 5 CO -0.10 -0.17 -0.11 0.03 -1.14 0.00 0.00 176.83 175.33 1f81 h ARG 6 N -0.00 -0.31 -0.07 3.45 3.08 -0.53 -0.08 114.38 119.92 1f81 h ARG 6 Ca 0.24 0.02 0.04 0.00 0.07 0.00 0.00 59.98 60.35 1f81 h ARG 6 Cb 0.37 0.07 -0.05 0.00 0.08 0.00 0.00 29.97 30.44 1f81 h ARG 6 CO -0.52 -0.19 -0.23 -0.09 -1.07 0.00 0.00 179.97 177.87 1f81 h ARG 7 N -0.34 -0.31 -0.75 0.04 2.43 0.14 0.19 114.38 115.79 1f81 h ARG 7 Ca -0.03 0.02 0.08 0.00 -0.81 0.00 0.00 59.98 59.24 1f81 h ARG 7 Cb 0.26 0.07 -0.06 0.00 -0.42 0.00 0.00 29.97 29.82 1f81 h ARG 7 CO 0.05 -0.21 0.42 -0.07 -1.51 0.00 0.00 179.97 178.65 1f81 h LEU 8 N -0.32 0.60 -0.58 3.80 4.07 -0.62 0.87 115.31 123.13 1f81 h LEU 8 Ca 0.08 0.04 -0.01 0.00 0.08 0.00 0.00 57.88 58.07 1f81 h LEU 8 Cb 0.44 -0.08 -0.03 0.00 1.08 0.00 0.00 40.66 42.08 1f81 h LEU 8 CO -0.26 0.37 0.31 0.28 -1.08 0.00 0.00 178.44 178.06 1f81 h SER 9 N 0.73 0.74 -0.37 -0.43 0.02 0.23 0.23 113.55 114.71 1f81 h SER 9 Ca 0.35 -0.10 -0.02 0.00 -0.84 0.00 0.00 61.79 61.18 1f81 h SER 9 Cb 0.28 -0.19 -0.02 0.00 0.14 0.00 0.00 62.40 62.61 1f81 h SER 9 CO -0.22 0.62 0.14 0.40 -1.14 0.00 0.00 176.83 176.63 1f81 h ILE 10 N 0.79 1.20 -0.65 3.27 2.04 0.11 0.14 117.51 124.40 1f81 h ILE 10 Ca 0.20 -0.61 0.02 0.00 1.00 0.00 0.00 64.86 65.48 1f81 h ILE 10 Cb 0.06 0.91 -0.04 0.00 -0.74 0.00 0.00 36.82 37.01 1f81 h ILE 10 CO -0.03 0.22 0.41 1.56 0.00 0.00 0.00 178.15 180.31 1f81 h GLN 11 N 0.44 0.79 -0.43 2.37 7.50 -0.53 0.18 115.11 125.43 1f81 h GLN 11 Ca 0.12 -0.05 -0.01 0.00 0.50 0.00 0.00 58.65 59.21 1f81 h GLN 11 Cb 0.20 -0.18 -0.02 0.00 0.05 0.00 0.00 27.48 27.54 1f81 h GLN 11 CO -0.01 0.52 0.22 -0.09 -1.50 0.00 0.00 178.83 177.98 1f81 h ARG 12 N 0.82 0.61 -0.46 1.46 2.43 -0.22 -0.58 114.38 118.44 1f81 h ARG 12 Ca 0.26 -0.08 0.03 0.00 -0.81 0.00 0.00 59.98 59.37 1f81 h ARG 12 Cb -0.01 -0.12 -0.03 0.00 -0.42 0.00 0.00 29.97 29.39 1f81 h ARG 12 CO -0.09 0.51 0.26 0.00 -1.51 0.00 0.00 179.97 179.13 1f81 h ILE 14 N 0.51 0.51 -0.29 0.00 2.04 -0.19 0.26 117.51 120.35 1f81 h ILE 14 Ca 0.19 0.00 0.04 0.00 1.00 0.00 0.00 64.86 66.09 1f81 h ILE 14 Cb 0.05 0.51 -0.04 0.00 -0.74 0.00 0.00 36.82 36.60 1f81 h ILE 14 CO -0.11 0.00 0.04 1.56 0.00 0.00 0.00 178.15 179.65 1f81 h GLN 15 N -0.33 0.14 -0.83 2.37 4.20 -0.59 0.21 115.11 120.27 1f81 h GLN 15 Ca 0.06 -0.01 -0.01 0.00 0.06 0.00 0.00 58.65 58.75 1f81 h GLN 15 Cb 0.41 -0.03 -0.04 0.00 0.30 0.00 0.00 27.48 28.12 1f81 h GLN 15 CO -0.19 0.09 0.48 1.03 -0.67 0.00 0.00 178.83 179.56 1f81 h SER 16 N 0.14 1.02 0.78 1.46 0.87 -0.63 0.38 113.55 117.58 1f81 h SER 16 Ca 0.14 -0.07 -0.04 0.00 -1.23 0.00 0.00 61.79 60.58 1f81 h SER 16 Cb 0.15 -0.26 0.01 0.00 -0.44 0.00 0.00 62.40 61.86 1f81 h SER 16 CO -0.19 0.80 -0.37 0.25 -0.53 0.00 0.00 176.83 176.79 1f81 h LEU 17 N 1.16 -0.88 -0.71 2.23 5.85 0.23 0.70 115.31 123.88 1f81 h LEU 17 Ca 0.30 0.03 0.15 0.00 0.84 0.00 0.00 57.88 59.20 1f81 h LEU 17 Cb -0.01 0.23 -0.13 0.00 0.37 0.00 0.00 40.66 41.12 1f81 h LEU 17 CO -0.05 -0.55 -0.08 0.58 -0.34 0.00 0.00 178.44 178.00 1f81 h VAL 18 N -1.22 0.34 0.55 1.05 2.07 -0.52 0.22 116.25 118.74 1f81 h VAL 18 Ca -0.11 -0.02 -0.02 0.00 0.82 0.00 0.00 66.70 67.37 1f81 h VAL 18 Cb 0.80 0.28 -0.01 0.00 -1.52 0.00 0.00 31.29 30.84 1f81 h VAL 18 CO 0.18 0.01 -0.43 -0.74 0.02 0.00 0.00 177.57 176.60 1f81 h HIS 19 N 0.05 -1.18 -0.98 1.57 -0.00 -0.86 -3.01 115.15 110.74 1f81 h HIS 19 Ca 0.37 -0.00 0.16 0.00 -0.00 0.00 0.00 60.37 60.90 1f81 h HIS 19 Cb 0.60 0.44 -0.09 0.00 -0.00 0.00 0.00 27.41 28.37 1f81 h HIS 19 CO -0.48 -0.61 0.61 0.00 -0.00 0.00 0.00 177.93 177.45 1f81 h ALA 20 N -1.14 1.70 -0.43 5.26 0.00 0.51 0.28 119.26 125.44 1f81 h ALA 20 Ca -0.07 0.05 -0.00 0.00 0.00 0.00 0.00 54.91 54.88 1f81 h ALA 20 Cb 0.79 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 18.44 1f81 h ALA 20 CO 0.01 -0.01 0.26 0.00 0.00 0.00 0.00 179.25 179.51 1f81 n GLN 22 N -4.45 0.67 -1.71 0.00 6.02 -0.33 -4.96 117.38 112.63 1f81 n GLN 22 Ca 0.03 0.16 -0.43 0.00 -0.01 0.00 0.00 57.00 56.76 1f81 n GLN 22 Cb 0.08 -1.64 -0.03 0.00 1.02 0.00 0.00 30.24 29.66 1f81 n GLN 22 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1f81 n ARG 24 N 3.96 3.30 -3.19 0.00 5.12 -1.26 -4.86 116.66 119.73 1f81 n ARG 24 Ca 0.16 -3.87 0.01 0.00 -1.93 0.00 0.00 57.85 52.22 1f81 n ARG 24 Cb 0.34 -2.28 -0.01 0.00 -1.16 0.00 0.00 32.46 29.35 1f81 n ARG 24 CO 0.00 0.00 0.00 1.21 -1.93 0.00 0.00 177.63 176.91 1f81 s ASN 25 N -3.00 -1.30 0.66 0.55 2.47 -1.26 -5.01 114.94 108.05 1f81 s ASN 25 Ca 0.56 -0.22 0.42 0.00 0.42 0.00 0.00 52.86 54.04 1f81 s ASN 25 Cb 0.44 1.87 2.32 0.00 -1.45 0.00 0.00 41.25 44.44 1f81 s ASN 25 CO 0.02 -0.27 2.33 0.00 -3.72 0.00 0.00 177.10 175.47 1f81 h ALA 26 N 7.69 1.09 -0.21 1.71 0.00 -2.00 -2.07 119.26 125.47 1f81 h ALA 26 Ca 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1f81 h ALA 26 Cb 1.18 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.97 1f81 h ALA 26 CO 0.15 -0.03 0.00 0.09 0.00 0.00 0.00 179.25 179.46 1f81 n ASN 27 N -3.16 1.24 -1.21 0.00 3.02 -1.26 -4.61 115.26 109.29 1f81 n ASN 27 Ca -0.03 -1.90 0.00 0.00 -0.03 0.00 0.00 54.58 52.63 1f81 n ASN 27 Cb 0.09 -0.14 0.00 0.00 -0.61 0.00 0.00 39.78 39.13 1f81 n ASN 27 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1f81 n SER 29 N 1.06 -4.14 -3.91 0.00 7.64 -1.26 -4.94 113.62 108.06 1f81 n SER 29 Ca 0.00 0.19 -0.30 0.00 1.01 0.00 0.00 58.87 59.77 1f81 n SER 29 Cb 0.20 -3.55 -0.14 0.00 -1.01 0.00 0.00 64.21 59.71 1f81 n SER 29 CO 0.00 0.00 0.00 -0.76 -3.01 0.00 0.00 175.04 171.27 1f81 s LEU 30 N -5.39 4.01 0.39 -3.43 1.43 -1.26 -4.96 118.68 109.47 1f81 s LEU 30 Ca 0.00 -2.65 0.14 0.00 -1.03 0.00 0.00 54.13 50.59 1f81 s LEU 30 Cb 0.00 -1.48 0.99 0.00 0.03 0.00 0.00 46.19 45.73 1f81 s LEU 30 CO 0.00 -0.29 1.85 -0.65 0.23 0.00 0.00 176.35 177.50 1f81 h PRO 31 N 6.91 0.49 -0.35 1.29 0.11 -1.93 -0.79 132.00 137.72 1f81 h PRO 31 Ca -0.06 -0.03 -0.11 0.00 0.11 0.00 0.00 66.00 65.91 1f81 h PRO 31 Cb 0.94 -0.11 -0.01 0.00 0.11 0.00 0.00 31.00 31.93 1f81 h PRO 31 CO 0.60 0.32 -0.21 0.66 -0.21 0.00 0.00 178.00 179.16 1f81 h SER 32 N 0.50 0.80 -0.00 -2.05 4.64 -1.98 0.12 113.55 115.57 1f81 h SER 32 Ca 0.47 -0.42 0.01 0.00 -0.47 0.00 0.00 61.79 61.38 1f81 h SER 32 Cb 1.04 -0.22 -0.01 0.00 -0.31 0.00 0.00 62.40 62.89 1f81 h SER 32 CO -0.20 1.04 -0.04 0.00 -0.87 0.00 0.00 176.83 176.76 1f81 h GLN 34 N -0.08 -0.13 -0.39 0.00 4.20 -1.08 0.32 115.11 117.95 1f81 h GLN 34 Ca 0.02 0.01 0.06 0.00 0.06 0.00 0.00 58.65 58.80 1f81 h GLN 34 Cb 0.10 0.03 -0.05 0.00 0.30 0.00 0.00 27.48 27.86 1f81 h GLN 34 CO -0.05 -0.09 0.10 -0.22 -0.67 0.00 0.00 178.83 177.90 1f81 h LYS 35 N -0.14 0.23 -0.14 1.46 1.63 -0.42 0.10 116.57 119.29 1f81 h LYS 35 Ca 0.10 -0.01 0.00 0.00 -0.85 0.00 0.00 60.65 59.89 1f81 h LYS 35 Cb 0.28 -0.05 -0.01 0.00 -0.60 0.00 0.00 32.23 31.85 1f81 h LYS 35 CO -0.24 0.15 0.08 0.52 -3.45 0.00 0.00 179.45 176.51 1f81 h MET 36 N 0.23 0.17 -0.69 1.90 2.86 -0.22 0.12 114.93 119.30 1f81 h MET 36 Ca 0.19 -0.01 0.09 0.00 -2.06 0.00 0.00 59.70 57.91 1f81 h MET 36 Cb 0.21 -0.04 -0.07 0.00 0.06 0.00 0.00 31.60 31.76 1f81 h MET 36 CO -0.23 0.11 0.34 0.87 1.06 0.00 0.00 176.91 179.06 1f81 h LYS 37 N 0.17 0.57 0.11 1.72 1.57 -0.42 0.12 116.57 120.41 1f81 h LYS 37 Ca 0.05 -0.03 0.00 0.00 -1.87 0.00 0.00 60.65 58.80 1f81 h LYS 37 Cb -0.01 -0.13 -0.01 0.00 0.08 0.00 0.00 32.23 32.16 1f81 h LYS 37 CO -0.02 0.38 -0.10 -0.09 -0.57 0.00 0.00 179.45 179.05 1f81 h ARG 38 N 0.59 -0.22 -0.50 3.15 2.43 -0.09 -0.30 114.38 119.44 1f81 h ARG 38 Ca 0.34 0.01 0.00 0.00 -0.81 0.00 0.00 59.98 59.53 1f81 h ARG 38 Cb 0.35 0.05 -0.02 0.00 -0.42 0.00 0.00 29.97 29.93 1f81 h ARG 38 CO -0.26 -0.15 0.32 0.28 -1.51 0.00 0.00 179.97 178.65 1f81 h VAL 39 N -0.23 1.14 0.54 0.20 2.07 -0.24 0.14 116.25 119.87 1f81 h VAL 39 Ca 0.00 -0.27 -0.02 0.00 0.82 0.00 0.00 66.70 67.23 1f81 h VAL 39 Cb 0.21 0.42 0.00 0.00 -1.52 0.00 0.00 31.29 30.41 1f81 h VAL 39 CO -0.02 0.13 -0.29 0.58 0.02 0.00 0.00 177.57 177.99 1f81 h VAL 40 N 0.67 0.41 -0.30 2.57 2.07 -0.60 0.85 116.25 121.93 1f81 h VAL 40 Ca 0.18 0.00 0.05 0.00 0.82 0.00 0.00 66.70 67.75 1f81 h VAL 40 Cb -0.06 0.41 -0.04 0.00 -1.52 0.00 0.00 31.29 30.08 1f81 h VAL 40 CO -0.04 0.00 0.04 1.56 0.02 0.00 0.00 177.57 179.15 1f81 h GLN 41 N -0.77 0.13 -0.31 1.57 4.20 -0.91 -0.31 115.11 118.71 1f81 h GLN 41 Ca -0.07 -0.01 0.07 0.00 0.06 0.00 0.00 58.65 58.70 1f81 h GLN 41 Cb 0.61 -0.03 -0.08 0.00 0.30 0.00 0.00 27.48 28.28 1f81 h GLN 41 CO 0.10 0.09 -0.24 1.25 -0.67 0.00 0.00 178.83 179.35 1f81 h HIS 42 N 0.13 -0.64 0.00 2.96 2.76 -0.56 -0.27 115.15 119.54 1f81 h HIS 42 Ca 0.14 0.04 0.01 0.00 -2.20 0.00 0.00 60.37 58.37 1f81 h HIS 42 Cb 0.16 0.33 -0.02 0.00 1.55 0.00 0.00 27.41 29.43 1f81 h HIS 42 CO -0.19 -0.32 -0.08 1.15 -1.30 0.00 0.00 177.93 177.20 1f81 h THR 43 N -0.21 0.80 -0.52 6.26 2.02 0.00 0.23 112.91 121.49 1f81 h THR 43 Ca 0.16 0.00 0.07 0.00 0.77 0.00 0.00 66.41 67.41 1f81 h THR 43 Cb 0.46 0.80 -0.06 0.00 -1.74 0.00 0.00 68.15 67.61 1f81 h THR 43 CO -0.44 0.00 0.19 0.11 0.37 0.00 0.00 175.52 175.76 1f81 h LYS 44 N -0.14 0.37 -0.29 6.66 1.57 -0.62 -2.82 116.57 121.30 1f81 h LYS 44 Ca 0.03 -0.02 -0.06 0.00 -1.87 0.00 0.00 60.65 58.73 1f81 h LYS 44 Cb 0.17 -0.08 -0.01 0.00 0.08 0.00 0.00 32.23 32.39 1f81 h LYS 44 CO -0.08 0.24 -0.04 0.78 -0.57 0.00 0.00 179.45 179.78 1f81 h GLY 45 N 0.38 0.59 -7.28 3.86 0.00 -0.67 -3.41 103.07 96.53 1f81 h GLY 45 Ca 0.25 -0.46 -0.13 0.00 0.00 0.00 0.00 47.33 46.99 1f81 h GLY 45 CO -0.25 0.42 0.35 0.00 0.00 0.00 0.00 176.54 177.06 1f81 h LYS 47 N 11.85 0.17 0.00 0.00 1.57 -1.81 0.92 116.57 129.28 1f81 h LYS 47 Ca 0.05 -0.01 0.00 0.00 -1.87 0.00 0.00 60.65 58.82 1f81 h LYS 47 Cb 1.00 -0.04 0.00 0.00 0.08 0.00 0.00 32.23 33.27 1f81 h LYS 47 CO 1.09 0.12 0.00 0.54 -0.57 0.00 0.00 179.45 180.63 1f81 n ARG 48 N -4.40 0.63 -1.49 3.15 5.12 -1.26 -4.79 116.66 113.62 1f81 n ARG 48 Ca 0.15 0.00 -0.57 0.00 -1.93 0.00 0.00 57.85 55.50 1f81 n ARG 48 Cb 0.71 -1.28 -0.09 0.00 -1.16 0.00 0.00 32.46 30.64 1f81 n ARG 48 CO 0.00 0.00 0.00 0.36 -1.93 0.00 0.00 177.63 176.06 1f81 n LYS 49 N -0.78 0.63 0.00 5.56 2.85 0.32 -0.63 118.16 126.10 1f81 n LYS 49 Ca 0.09 0.20 0.00 0.00 -1.05 0.00 0.00 58.31 57.54 1f81 n LYS 49 Cb 0.04 -1.95 0.00 0.00 -0.65 0.00 0.00 35.03 32.47 1f81 n LYS 49 CO 0.00 0.00 0.00 2.41 -0.05 0.00 0.00 177.40 179.76 1f81 n THR 50 N 5.95 0.00 -0.20 0.58 -1.04 -1.26 -4.64 114.28 113.67 1f81 n THR 50 Ca 0.41 0.00 -0.01 0.00 -2.04 0.00 0.00 64.05 62.41 1f81 n THR 50 Cb 0.08 0.00 0.06 0.00 -1.82 0.00 0.00 70.33 68.66 1f81 n THR 50 CO 0.00 0.00 0.00 -1.13 -0.64 0.00 0.00 175.07 173.30 1f81 h ASN 51 N 0.00 -0.52 -0.81 8.00 -0.73 -1.68 0.15 115.58 119.99 1f81 h ASN 51 Ca 0.00 0.18 -0.35 0.00 1.87 0.00 0.00 56.30 58.00 1f81 h ASN 51 Cb 0.00 0.36 -0.21 0.00 0.27 0.00 0.00 38.32 38.74 1f81 h ASN 51 CO 0.00 -0.19 0.44 0.61 -0.37 0.00 0.00 177.43 177.92 1f81 n GLY 52 N -1.41 3.90 3.50 1.57 0.00 0.19 -4.91 105.19 108.04 1f81 n GLY 52 Ca 0.07 -0.95 -0.26 0.00 0.00 0.00 0.00 46.02 44.89 1f81 n GLY 52 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1f81 n GLY 53 N -0.59 -0.49 3.65 -0.02 0.00 0.51 -4.87 105.19 103.39 1f81 n GLY 53 Ca 0.47 0.12 -0.42 0.00 0.00 0.00 0.00 46.02 46.18 1f81 n GLY 53 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1f81 h PRO 55 N 10.81 0.65 0.13 0.00 0.13 -1.97 -0.10 132.00 141.64 1f81 h PRO 55 Ca -0.45 -0.10 0.02 0.00 -0.87 0.00 0.00 66.00 64.60 1f81 h PRO 55 Cb 1.22 -0.12 -0.03 0.00 0.13 0.00 0.00 31.00 32.20 1f81 h PRO 55 CO 0.95 0.55 -0.28 0.28 -0.23 0.00 0.00 178.00 179.27 1f81 h VAL 56 N 0.59 0.39 -0.25 1.56 2.07 -1.99 0.16 116.25 118.77 1f81 h VAL 56 Ca 0.15 0.00 -0.00 0.00 0.82 0.00 0.00 66.70 67.67 1f81 h VAL 56 Cb 0.12 0.39 -0.01 0.00 -1.52 0.00 0.00 31.29 30.27 1f81 h VAL 56 CO -0.02 0.00 0.14 0.00 0.02 0.00 0.00 177.57 177.71 1f81 h LYS 58 N 0.30 0.48 -0.11 0.00 1.63 -0.70 0.12 116.57 118.29 1f81 h LYS 58 Ca 0.09 -0.03 0.00 0.00 -0.85 0.00 0.00 60.65 59.86 1f81 h LYS 58 Cb 0.06 -0.11 -0.01 0.00 -0.60 0.00 0.00 32.23 31.58 1f81 h LYS 58 CO -0.01 0.32 0.07 0.37 -3.45 0.00 0.00 179.45 176.74 1f81 h GLN 59 N 0.49 0.15 -0.13 1.90 -0.00 -0.30 0.14 115.11 117.37 1f81 h GLN 59 Ca 0.31 -0.01 0.02 0.00 -0.00 0.00 0.00 58.65 58.97 1f81 h GLN 59 Cb 0.33 -0.03 -0.02 0.00 0.00 0.00 0.00 27.48 27.76 1f81 h GLN 59 CO -0.27 0.12 0.01 1.25 0.00 0.00 0.00 178.83 179.95 1f81 h LEU 60 N 0.13 -0.03 -0.52 -2.39 5.85 -0.33 0.58 115.31 118.60 1f81 h LEU 60 Ca 0.04 0.03 0.03 0.00 0.84 0.00 0.00 57.88 58.82 1f81 h LEU 60 Cb 0.01 0.04 -0.04 0.00 0.37 0.00 0.00 40.66 41.04 1f81 h LEU 60 CO -0.01 0.01 0.29 0.40 -0.34 0.00 0.00 178.44 178.79 1f81 h ILE 61 N 0.06 1.01 -0.49 4.05 2.04 -0.57 0.13 117.51 123.74 1f81 h ILE 61 Ca 0.06 -0.20 -0.01 0.00 1.00 0.00 0.00 64.86 65.71 1f81 h ILE 61 Cb 0.06 0.39 -0.02 0.00 -0.74 0.00 0.00 36.82 36.51 1f81 h ILE 61 CO -0.09 0.10 0.25 0.00 0.00 0.00 0.00 178.15 178.42 1f81 h ALA 62 N 1.25 0.63 0.05 1.87 0.00 -0.36 0.29 119.26 123.00 1f81 h ALA 62 Ca 0.22 -0.10 0.01 0.00 0.00 0.00 0.00 54.91 55.03 1f81 h ALA 62 Cb 0.07 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 17.66 1f81 h ALA 62 CO -0.12 0.17 -0.07 1.25 0.00 0.00 0.00 179.25 180.48 1f81 h LEU 63 N 0.65 -0.20 -0.89 0.00 5.85 -0.35 0.30 115.31 120.66 1f81 h LEU 63 Ca 0.17 0.02 0.11 0.00 0.84 0.00 0.00 57.88 59.03 1f81 h LEU 63 Cb 0.08 0.08 -0.08 0.00 0.37 0.00 0.00 40.66 41.11 1f81 h LEU 63 CO -0.02 -0.11 0.52 0.00 -0.34 0.00 0.00 178.44 178.49 1f81 h TYR 66 N -1.29 0.59 0.80 0.00 3.20 -0.71 0.15 116.97 119.73 1f81 h TYR 66 Ca -0.13 0.03 -0.04 0.00 3.14 0.00 0.00 58.73 61.74 1f81 h TYR 66 Cb 0.94 -0.15 -0.00 0.00 1.54 0.00 0.00 36.73 39.06 1f81 h TYR 66 CO 0.01 0.11 -0.48 1.25 -1.64 0.00 0.00 178.16 177.41 1f81 h HIS 67 N 0.51 -1.28 -0.98 -3.82 2.76 -0.75 -3.01 115.15 108.58 1f81 h HIS 67 Ca 0.42 -0.01 0.21 0.00 -2.20 0.00 0.00 60.37 58.78 1f81 h HIS 67 Cb 0.61 0.45 -0.09 0.00 1.55 0.00 0.00 27.41 29.93 1f81 h HIS 67 CO -0.14 -0.73 0.62 0.00 -1.30 0.00 0.00 177.93 176.38 1f81 h ALA 68 N -1.12 1.94 -0.66 5.26 0.00 0.30 0.11 119.26 125.08 1f81 h ALA 68 Ca -0.11 0.05 0.13 0.00 0.00 0.00 0.00 54.91 54.99 1f81 h ALA 68 Cb 0.96 -0.05 -0.04 0.00 0.00 0.00 0.00 17.79 18.66 1f81 h ALA 68 CO 0.12 -0.28 0.45 -0.22 0.00 0.00 0.00 179.25 179.31 1f81 h LYS 69 N 0.59 0.33 0.00 0.00 3.64 -0.59 -3.15 116.57 117.39 1f81 h LYS 69 Ca 0.54 -0.02 -0.36 0.00 -1.27 0.00 0.00 60.65 59.54 1f81 h LYS 69 Cb 1.08 -0.07 -0.06 0.00 -0.41 0.00 0.00 32.23 32.76 1f81 h LYS 69 CO -0.30 0.22 -2.33 0.72 -2.27 0.00 0.00 179.45 175.49 1f81 n HIS 70 N -4.46 0.00 -1.76 1.91 8.25 -0.15 -5.00 115.22 114.01 1f81 n HIS 70 Ca 0.12 0.00 -0.38 0.00 -0.26 0.00 0.00 57.72 57.20 1f81 n HIS 70 Cb 0.49 -0.89 0.04 0.00 1.12 0.00 0.00 29.99 30.75 1f81 n HIS 70 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1f81 n GLN 72 N -1.03 1.30 -1.88 0.00 1.13 -1.26 -4.81 117.38 110.82 1f81 n GLN 72 Ca 0.10 -0.19 -0.42 0.00 -1.94 0.00 0.00 57.00 54.55 1f81 n GLN 72 Cb 0.45 -0.62 -0.03 0.00 0.11 0.00 0.00 30.24 30.15 1f81 n GLN 72 CO 0.00 0.00 0.00 -1.21 -1.44 0.00 0.00 177.06 174.41 1f81 s GLU 73 N -0.24 4.17 0.00 -1.09 0.41 -1.26 -4.88 118.70 115.81 1f81 s GLU 73 Ca 0.00 2.36 0.20 0.00 -0.41 0.00 0.00 54.97 57.11 1f81 s GLU 73 Cb 0.00 -3.98 1.07 0.00 -1.78 0.00 0.00 34.13 29.44 1f81 s GLU 73 CO 0.00 -0.86 1.59 0.27 -0.49 0.00 0.00 175.26 175.77 1f81 n ASN 74 N 7.00 0.00 -2.68 -0.19 6.94 -1.26 -2.96 115.26 122.11 1f81 n ASN 74 Ca 0.18 -0.26 -0.08 0.00 -0.02 0.00 0.00 54.58 54.40 1f81 n ASN 74 Cb 0.42 -0.16 0.03 0.00 -2.36 0.00 0.00 39.78 37.71 1f81 n ASN 74 CO 0.00 0.00 0.00 0.29 -1.03 0.00 0.00 177.26 176.52 1f81 n LYS 75 N -1.16 1.64 -2.12 -3.83 5.02 -1.26 -5.03 118.16 111.41 1f81 n LYS 75 Ca 0.12 -3.48 -0.42 0.00 -2.02 0.00 0.00 58.31 52.51 1f81 n LYS 75 Cb 0.12 -1.49 -0.03 0.00 -0.02 0.00 0.00 35.03 33.60 1f81 n LYS 75 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1f81 h PRO 77 N 7.75 0.86 -6.10 0.00 0.11 -1.96 -3.43 132.00 129.22 1f81 h PRO 77 Ca -0.40 -0.05 -0.66 0.00 0.11 0.00 0.00 66.00 65.00 1f81 h PRO 77 Cb 1.19 -0.19 0.00 0.00 0.11 0.00 0.00 31.00 32.11 1f81 h PRO 77 CO 0.90 0.57 1.23 0.28 -0.21 0.00 0.00 178.00 180.77 1f81 n VAL 78 N -4.64 0.34 -1.15 3.15 0.31 -1.26 -4.93 118.33 110.14 1f81 n VAL 78 Ca 0.20 -0.19 -0.35 0.00 -0.01 0.00 0.00 64.34 63.99 1f81 n VAL 78 Cb 0.43 -1.70 0.09 0.00 -0.91 0.00 0.00 33.84 31.75 1f81 n VAL 78 CO 0.00 0.00 0.00 -2.65 -1.32 0.00 0.00 176.83 172.86 1f81 n PRO 79 N 7.25 0.18 0.00 5.55 -0.02 -1.26 -2.83 135.00 143.86 1f81 n PRO 79 Ca 0.32 0.11 0.00 0.00 -2.02 0.00 0.00 63.50 61.91 1f81 n PRO 79 Cb 0.25 -1.91 0.00 0.00 -0.02 0.00 0.00 33.50 31.82 1f81 n PRO 79 CO 0.00 0.00 0.00 1.19 1.98 0.00 0.00 175.50 178.67 1f81 n PHE 80 N -2.73 0.00 -0.38 6.00 3.72 -1.26 -4.77 117.46 118.04 1f81 n PHE 80 Ca 0.10 0.00 -0.07 0.00 -0.05 0.00 0.00 57.45 57.42 1f81 n PHE 80 Cb 0.51 0.00 -0.05 0.00 -0.94 0.00 0.00 39.48 39.00 1f81 n PHE 80 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 1f81 h LEU 82 N 0.00 -1.23 -0.72 0.00 3.38 -1.86 0.20 115.31 115.08 1f81 h LEU 82 Ca 0.21 0.13 0.12 0.00 0.09 0.00 0.00 57.88 58.42 1f81 h LEU 82 Cb 0.44 0.45 -0.08 0.00 0.09 0.00 0.00 40.66 41.55 1f81 h LEU 82 CO -0.90 -0.52 0.31 -1.13 0.09 0.00 0.00 178.44 176.29 1f81 h ASN 83 N -0.72 0.33 0.09 -0.43 -0.73 -1.57 0.83 115.58 113.38 1f81 h ASN 83 Ca 0.00 0.09 -0.00 0.00 1.87 0.00 0.00 56.30 58.26 1f81 h ASN 83 Cb 0.71 0.05 0.00 0.00 0.27 0.00 0.00 38.32 39.35 1f81 h ASN 83 CO -0.19 0.16 -0.04 0.40 -0.37 0.00 0.00 177.43 177.39 1f81 h ILE 84 N 0.49 1.00 -0.59 2.57 2.04 -0.29 0.13 117.51 122.87 1f81 h ILE 84 Ca 0.38 -0.30 0.04 0.00 1.00 0.00 0.00 64.86 65.98 1f81 h ILE 84 Cb 0.51 1.19 -0.04 0.00 -0.74 0.00 0.00 36.82 37.74 1f81 h ILE 84 CO -0.35 0.07 0.34 0.11 0.00 0.00 0.00 178.15 178.33 1f81 h LYS 85 N -0.25 0.64 -0.17 2.37 1.57 -0.29 -2.29 116.57 118.16 1f81 h LYS 85 Ca -0.01 -0.04 0.00 0.00 -1.87 0.00 0.00 60.65 58.73 1f81 h LYS 85 Cb 0.21 -0.15 -0.01 0.00 0.08 0.00 0.00 32.23 32.36 1f81 h LYS 85 CO 0.02 0.43 0.10 0.45 -0.57 0.00 0.00 179.45 179.88 1f81 h HIS 86 N 0.66 0.20 0.00 -1.35 3.86 -0.70 -3.51 115.15 114.31 1f81 h HIS 86 Ca 0.25 0.01 0.00 0.00 -1.16 0.00 0.00 60.37 59.46 1f81 h HIS 86 Cb 0.07 -0.06 0.00 0.00 1.06 0.00 0.00 27.41 28.48 1f81 h HIS 86 CO -0.07 0.12 0.00 1.17 0.86 0.00 0.00 177.93 180.01