#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1f54 n SER 2 N 0.00 -6.79 -3.67 4.04 7.64 -1.13 -4.98 113.62 108.73 1f54 n SER 2 Ca 0.00 0.55 -0.26 0.00 1.01 0.00 0.00 58.87 60.17 1f54 n SER 2 Cb 0.00 -2.42 -0.17 0.00 -1.01 0.00 0.00 64.21 60.61 1f54 n SER 2 CO 0.00 0.00 0.00 0.21 -3.01 0.00 0.00 175.04 172.24 1f54 s ASN 3 N -1.21 2.41 0.38 6.43 3.04 -1.26 -4.98 114.94 119.74 1f54 s ASN 3 Ca 0.04 -0.60 0.08 0.00 0.04 0.00 0.00 52.86 52.42 1f54 s ASN 3 Cb -0.01 -0.37 -0.03 0.00 -1.54 0.00 0.00 41.25 39.30 1f54 s ASN 3 CO 0.26 -0.32 0.27 -0.22 -3.04 0.00 0.00 177.10 174.06 1f54 s LEU 4 N 2.03 3.37 0.00 3.21 2.96 -1.26 -5.09 118.68 123.90 1f54 s LEU 4 Ca 0.01 -0.74 0.00 0.00 -0.22 0.00 0.00 54.13 53.18 1f54 s LEU 4 Cb -0.16 -1.93 0.00 0.00 0.50 0.00 0.00 46.19 44.61 1f54 s LEU 4 CO -0.08 -0.49 0.00 0.41 -1.32 0.00 0.00 176.35 174.87 1f54 n THR 5 N -1.37 0.00 0.00 3.68 -1.04 -1.26 -5.02 114.28 109.27 1f54 n THR 5 Ca 0.00 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.01 1f54 n THR 5 Cb 0.62 0.00 0.00 0.00 -1.82 0.00 0.00 70.33 69.13 1f54 n THR 5 CO 0.00 0.00 0.00 -0.62 -0.64 0.00 0.00 175.07 173.81 1f54 n GLU 6 N 0.00 0.00 -0.31 -2.82 1.02 -1.26 -2.11 120.64 115.16 1f54 n GLU 6 Ca 0.00 0.41 0.16 0.00 -0.02 0.00 0.00 57.16 57.71 1f54 n GLU 6 Cb 0.00 -1.33 0.33 0.00 -0.02 0.00 0.00 31.44 30.42 1f54 n GLU 6 CO 0.00 0.00 0.00 0.93 1.18 0.00 0.00 177.13 179.24 1f54 h GLU 7 N 0.00 0.17 0.12 3.49 3.07 -1.99 -0.73 114.58 118.71 1f54 h GLU 7 Ca 0.00 -0.01 0.01 0.00 -0.50 0.00 0.00 59.36 58.86 1f54 h GLU 7 Cb 0.00 -0.04 -0.04 0.00 -0.84 0.00 0.00 28.75 27.83 1f54 h GLU 7 CO 0.00 0.12 -0.45 0.37 -1.40 0.00 0.00 179.01 177.65 1f54 h GLN 8 N 0.18 -0.62 -0.97 2.33 5.75 -1.94 -0.08 115.11 119.75 1f54 h GLN 8 Ca 0.60 0.04 0.23 0.00 -0.15 0.00 0.00 58.65 59.37 1f54 h GLN 8 Cb 1.28 0.14 -0.08 0.00 1.07 0.00 0.00 27.48 29.89 1f54 h GLN 8 CO -0.70 -0.42 0.63 0.82 -2.65 0.00 0.00 178.83 176.52 1f54 h ILE 9 N -0.65 0.63 0.89 2.39 2.04 -0.60 -1.69 117.51 120.52 1f54 h ILE 9 Ca -0.01 -0.15 -0.04 0.00 1.00 0.00 0.00 64.86 65.66 1f54 h ILE 9 Cb 0.65 0.14 0.01 0.00 -0.74 0.00 0.00 36.82 36.88 1f54 h ILE 9 CO -0.23 0.08 -0.43 0.00 0.00 0.00 0.00 178.15 177.57 1f54 h ALA 10 N 1.61 -1.20 -0.92 1.87 0.00 -0.41 -1.84 119.26 118.38 1f54 h ALA 10 Ca 0.53 -0.26 0.21 0.00 0.00 0.00 0.00 54.91 55.39 1f54 h ALA 10 Cb 1.27 0.46 -0.07 0.00 0.00 0.00 0.00 17.79 19.45 1f54 h ALA 10 CO -0.24 -1.12 0.61 0.93 0.00 0.00 0.00 179.25 179.43 1f54 h GLU 11 N -1.31 0.38 -0.34 0.00 5.08 -0.42 -0.03 114.58 117.95 1f54 h GLU 11 Ca -0.12 -0.02 -0.03 0.00 -1.00 0.00 0.00 59.36 58.18 1f54 h GLU 11 Cb 0.92 -0.09 -0.01 0.00 0.50 0.00 0.00 28.75 30.07 1f54 h GLU 11 CO 0.20 0.25 0.08 0.74 -1.00 0.00 0.00 179.01 179.29 1f54 h PHE 12 N 0.39 0.56 0.13 4.33 -1.00 -1.02 -2.59 116.94 117.76 1f54 h PHE 12 Ca 0.48 -0.07 0.01 0.00 2.81 0.00 0.00 57.97 61.21 1f54 h PHE 12 Cb 1.23 -0.16 -0.03 0.00 3.61 0.00 0.00 35.95 40.61 1f54 h PHE 12 CO -0.00 0.58 -0.22 -0.22 -1.61 0.00 0.00 178.31 176.84 1f54 h LYS 13 N 0.39 -0.41 -1.01 1.51 3.64 -0.16 0.54 116.57 121.08 1f54 h LYS 13 Ca 0.11 0.03 0.18 0.00 -1.27 0.00 0.00 60.65 59.70 1f54 h LYS 13 Cb 0.30 0.09 -0.10 0.00 -0.41 0.00 0.00 32.23 32.10 1f54 h LYS 13 CO 0.00 -0.27 0.61 0.93 -2.27 0.00 0.00 179.45 178.46 1f54 h GLU 14 N -0.42 0.77 0.00 1.90 3.07 -1.42 0.82 114.58 119.29 1f54 h GLU 14 Ca 0.02 -0.05 0.00 0.00 -0.50 0.00 0.00 59.36 58.84 1f54 h GLU 14 Cb 0.43 -0.17 0.00 0.00 -0.84 0.00 0.00 28.75 28.17 1f54 h GLU 14 CO -0.11 0.51 0.00 0.00 -1.40 0.00 0.00 179.01 178.01 1f54 n ALA 15 N -2.33 -0.24 -0.33 3.43 0.00 -0.67 -0.70 120.51 119.67 1f54 n ALA 15 Ca 0.23 0.00 0.07 0.00 0.00 0.00 0.00 53.44 53.74 1f54 n ALA 15 Cb 0.55 0.00 0.16 0.00 0.00 0.00 0.00 19.45 20.16 1f54 n ALA 15 CO 0.00 0.00 0.00 0.35 0.00 0.00 0.00 177.50 177.85 1f54 h PHE 16 N 0.00 -0.37 0.00 0.00 3.57 -0.81 1.41 116.94 120.75 1f54 h PHE 16 Ca 0.00 0.08 -0.06 0.00 3.53 0.00 0.00 57.97 61.52 1f54 h PHE 16 Cb 0.00 0.31 -0.01 0.00 2.79 0.00 0.00 35.95 39.04 1f54 h PHE 16 CO 0.11 -0.39 -0.27 0.00 -2.23 0.00 0.00 178.31 175.53 1f54 h ALA 17 N 1.92 1.13 0.00 2.41 0.00 -0.92 -2.64 119.26 121.16 1f54 h ALA 17 Ca 0.47 -0.24 0.00 0.00 0.00 0.00 0.00 54.91 55.14 1f54 h ALA 17 Cb 0.79 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.53 1f54 h ALA 17 CO -0.92 0.33 0.09 1.25 0.00 0.00 0.00 179.25 180.00 1f54 h LEU 18 N 0.00 0.00 -1.85 0.00 6.46 0.42 -1.21 115.31 119.13 1f54 h LEU 18 Ca -0.00 0.00 0.00 0.00 -0.12 0.00 0.00 57.88 57.76 1f54 h LEU 18 Cb 0.68 0.00 0.00 0.00 -0.73 0.00 0.00 40.66 40.61 1f54 h LEU 18 CO 0.03 0.00 0.00 0.49 -0.62 0.00 0.00 178.44 178.34 1f54 n PHE 19 N -2.67 0.00 -2.42 1.25 3.01 -1.02 -4.98 117.46 110.64 1f54 n PHE 19 Ca -0.02 -0.23 -0.41 0.00 1.01 0.00 0.00 57.45 57.79 1f54 n PHE 19 Cb 0.14 -0.02 -0.03 0.00 -0.01 0.00 0.00 39.48 39.56 1f54 n PHE 19 CO 0.00 0.00 0.00 0.34 1.01 0.00 0.00 176.76 178.11 1f54 s ASP 20 N -0.47 6.06 0.17 4.37 2.15 -0.46 -4.75 116.67 123.74 1f54 s ASP 20 Ca 0.00 0.04 -0.12 0.00 0.43 0.00 0.00 52.55 52.90 1f54 s ASP 20 Cb 0.00 -2.55 0.07 0.00 -0.30 0.00 0.00 42.92 40.14 1f54 s ASP 20 CO 0.00 -1.81 1.72 0.50 -0.17 0.00 0.00 175.17 175.41 1f54 h LYS 21 N 11.07 0.87 0.00 4.34 3.64 -1.88 -1.71 116.57 132.91 1f54 h LYS 21 Ca -0.27 -0.16 0.00 0.00 -1.27 0.00 0.00 60.65 58.95 1f54 h LYS 21 Cb 1.08 -0.14 0.00 0.00 -0.41 0.00 0.00 32.23 32.76 1f54 h LYS 21 CO 1.22 0.75 0.00 0.22 -2.27 0.00 0.00 179.45 179.37 1f54 h ASP 22 N 0.80 0.00 -3.41 4.20 3.58 -1.89 -3.45 116.42 116.25 1f54 h ASP 22 Ca 0.19 0.00 -0.34 0.00 0.42 0.00 0.00 57.03 57.30 1f54 h ASP 22 Cb 0.21 0.00 -0.02 0.00 1.72 0.00 0.00 39.33 41.25 1f54 h ASP 22 CO -0.01 0.00 -0.44 0.59 -2.88 0.00 0.00 179.24 176.50 1f54 n ASN 23 N -2.81 -5.00 0.00 2.28 3.02 -0.64 -4.79 115.26 107.32 1f54 n ASN 23 Ca -0.02 0.07 0.00 0.00 -0.03 0.00 0.00 54.58 54.60 1f54 n ASN 23 Cb 0.09 -4.19 0.00 0.00 -0.61 0.00 0.00 39.78 35.07 1f54 n ASN 23 CO 0.00 0.00 0.00 0.59 -2.62 0.00 0.00 177.26 175.23 1f54 n ASN 24 N -1.93 4.11 0.00 6.41 3.02 -1.26 -5.00 115.26 120.61 1f54 n ASN 24 Ca -0.20 -0.04 0.00 0.00 -0.03 0.00 0.00 54.58 54.32 1f54 n ASN 24 Cb 0.65 0.89 0.00 0.00 -0.61 0.00 0.00 39.78 40.71 1f54 n ASN 24 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1f54 n GLY 25 N 2.13 0.82 3.18 7.41 0.00 -1.26 -5.06 105.19 112.41 1f54 n GLY 25 Ca 0.00 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.89 1f54 n GLY 25 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1f54 s SER 26 N -1.14 -0.23 0.05 1.61 1.04 -1.26 -1.86 113.70 111.92 1f54 s SER 26 Ca 0.00 0.34 -0.02 0.00 0.48 0.00 0.00 55.95 56.76 1f54 s SER 26 Cb 0.00 0.46 -0.04 0.00 0.10 0.00 0.00 66.02 66.55 1f54 s SER 26 CO 0.00 -0.23 -0.01 0.27 0.98 0.00 0.00 173.24 174.25 1f54 s ILE 27 N -0.45 0.21 0.44 -1.02 -4.36 -0.52 -4.15 121.20 111.34 1f54 s ILE 27 Ca -0.06 -1.71 -0.21 0.00 -0.26 0.00 0.00 60.65 58.42 1f54 s ILE 27 Cb -0.04 -1.45 -0.11 0.00 1.25 0.00 0.00 42.46 42.11 1f54 s ILE 27 CO 0.02 -0.94 0.96 -0.55 0.24 0.00 0.00 174.94 174.66 1f54 s SER 28 N -2.86 6.89 0.19 4.36 0.15 -1.26 0.15 113.70 121.32 1f54 s SER 28 Ca 0.06 1.70 -0.22 0.00 0.70 0.00 0.00 55.95 58.19 1f54 s SER 28 Cb 0.07 -2.54 0.11 0.00 -1.71 0.00 0.00 66.02 61.95 1f54 s SER 28 CO -0.10 -0.40 1.56 -1.28 1.20 0.00 0.00 173.24 174.23 1f54 h SER 29 N 1.86 -1.46 -1.30 5.45 0.87 -1.92 1.03 113.55 118.08 1f54 h SER 29 Ca -0.49 0.27 0.38 0.00 -1.23 0.00 0.00 61.79 60.72 1f54 h SER 29 Cb 1.18 0.71 -0.08 0.00 -0.44 0.00 0.00 62.40 63.77 1f54 h SER 29 CO 0.61 -0.30 0.89 -1.28 -0.53 0.00 0.00 176.83 176.22 1f54 h SER 30 N -0.12 0.17 0.44 6.23 0.87 -1.93 0.67 113.55 119.87 1f54 h SER 30 Ca 0.24 0.05 -0.25 0.00 -1.23 0.00 0.00 61.79 60.61 1f54 h SER 30 Cb 0.56 0.03 0.01 0.00 -0.44 0.00 0.00 62.40 62.56 1f54 h SER 30 CO -0.81 -0.02 -1.09 -0.33 -0.53 0.00 0.00 176.83 174.05 1f54 h GLU 31 N 0.12 0.37 -0.89 2.24 4.39 0.73 -3.25 114.58 118.29 1f54 h GLU 31 Ca 0.69 -0.49 0.10 0.00 0.34 0.00 0.00 59.36 60.00 1f54 h GLU 31 Cb 2.38 0.16 -0.06 0.00 -0.10 0.00 0.00 28.75 31.13 1f54 h GLU 31 CO -0.18 1.17 0.57 1.25 -1.16 0.00 0.00 179.01 180.67 1f54 h LEU 32 N 0.17 0.80 -0.66 1.33 5.85 0.12 -1.18 115.31 121.75 1f54 h LEU 32 Ca -0.11 0.02 0.04 0.00 0.84 0.00 0.00 57.88 58.67 1f54 h LEU 32 Cb 1.76 -0.14 -0.05 0.00 0.37 0.00 0.00 40.66 42.60 1f54 h LEU 32 CO 0.19 0.47 0.40 0.00 -0.34 0.00 0.00 178.44 179.16 1f54 h ALA 33 N 1.55 0.87 0.43 1.25 0.00 -1.52 -0.99 119.26 120.86 1f54 h ALA 33 Ca 0.41 -0.01 -0.02 0.00 0.00 0.00 0.00 54.91 55.29 1f54 h ALA 33 Cb 0.40 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 18.01 1f54 h ALA 33 CO -0.17 0.14 -0.21 1.15 0.00 0.00 0.00 179.25 180.15 1f54 h THR 34 N 0.77 0.00 -1.40 0.00 2.02 -1.34 -2.50 112.91 110.46 1f54 h THR 34 Ca 0.27 -0.06 0.42 0.00 0.77 0.00 0.00 66.41 67.81 1f54 h THR 34 Cb 0.07 0.00 -0.09 0.00 -1.74 0.00 0.00 68.15 66.39 1f54 h THR 34 CO -0.13 0.00 0.97 -0.37 0.37 0.00 0.00 175.52 176.36 1f54 h VAL 35 N -0.64 0.23 0.84 3.16 -1.51 -1.40 0.16 116.25 117.08 1f54 h VAL 35 Ca -0.06 -0.03 -0.04 0.00 -1.23 0.00 0.00 66.70 65.34 1f54 h VAL 35 Cb 0.45 0.14 0.01 0.00 -2.13 0.00 0.00 31.29 29.75 1f54 h VAL 35 CO 0.10 0.02 -0.41 -0.03 -1.23 0.00 0.00 177.57 176.01 1f54 h MET 36 N 0.09 -1.10 0.00 5.19 4.05 -0.75 -2.29 114.93 120.12 1f54 h MET 36 Ca 0.75 0.07 0.00 0.00 -0.28 0.00 0.00 59.70 60.24 1f54 h MET 36 Cb 2.63 0.25 0.00 0.00 -0.80 0.00 0.00 31.60 33.68 1f54 h MET 36 CO -0.19 -0.73 0.00 -0.09 0.23 0.00 0.00 176.91 176.13 1f54 h ARG 37 N -1.14 0.00 -0.10 0.39 2.43 -0.75 -2.90 114.38 112.31 1f54 h ARG 37 Ca -0.11 0.00 -0.11 0.00 -0.81 0.00 0.00 59.98 58.94 1f54 h ARG 37 Cb 0.88 0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 30.42 1f54 h ARG 37 CO 0.18 0.00 -0.45 0.77 -1.51 0.00 0.00 179.97 178.96 1f54 h SER 38 N 0.00 0.25 0.29 -3.80 0.02 -0.46 -2.82 113.55 107.04 1f54 h SER 38 Ca 0.00 -0.11 -0.05 0.00 -0.84 0.00 0.00 61.79 60.79 1f54 h SER 38 Cb 0.49 -0.07 -0.01 0.00 0.14 0.00 0.00 62.40 62.95 1f54 h SER 38 CO 0.00 0.67 -0.24 -0.07 -1.14 0.00 0.00 176.83 176.05 1f54 h LEU 39 N 0.19 0.00 0.00 5.07 3.38 -1.20 -3.45 115.31 119.30 1f54 h LEU 39 Ca 0.01 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.98 1f54 h LEU 39 Cb 0.87 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.62 1f54 h LEU 39 CO 0.07 0.24 0.00 0.61 0.09 0.00 0.00 178.44 179.44 1f54 n GLY 40 N -0.74 0.25 2.56 0.83 0.00 -1.07 -5.12 105.19 101.90 1f54 n GLY 40 Ca -0.02 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 45.86 1f54 n GLY 40 CO 0.00 0.00 0.00 1.47 0.00 0.00 0.00 173.32 174.79 1f54 n LEU 41 N 0.00 0.00 -2.98 0.99 -0.00 -1.17 -5.06 117.00 108.78 1f54 n LEU 41 Ca 0.00 -2.37 -0.01 0.00 -0.00 0.00 0.00 56.01 53.64 1f54 n LEU 41 Cb 0.00 1.61 0.00 0.00 -0.00 0.00 0.00 43.42 45.03 1f54 n LEU 41 CO 0.00 -0.46 0.18 -0.44 -0.00 0.00 0.00 177.39 176.68 1f54 s SER 42 N -2.77 -1.24 0.00 1.45 0.01 -1.26 -4.12 113.70 105.77 1f54 s SER 42 Ca 0.27 -0.92 0.00 0.00 1.31 0.00 0.00 55.95 56.61 1f54 s SER 42 Cb 0.01 1.60 0.00 0.00 0.21 0.00 0.00 66.02 67.84 1f54 s SER 42 CO 0.19 -0.11 0.00 -0.81 0.41 0.00 0.00 173.24 172.93 1f54 n PRO 43 N 3.77 1.11 -3.06 12.44 -0.04 -1.26 -5.10 135.00 142.86 1f54 n PRO 43 Ca 0.12 0.00 -0.09 0.00 -0.04 0.00 0.00 63.50 63.49 1f54 n PRO 43 Cb 0.58 0.00 -0.03 0.00 -0.04 0.00 0.00 33.50 34.01 1f54 n PRO 43 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 1f54 n SER 44 N 0.00 -0.53 0.14 3.54 2.88 -1.26 -5.01 113.62 113.38 1f54 n SER 44 Ca 0.00 -2.11 -0.15 0.00 -1.33 0.00 0.00 58.87 55.28 1f54 n SER 44 Cb 0.00 1.10 -0.07 0.00 -0.75 0.00 0.00 64.21 64.48 1f54 n SER 44 CO 0.00 0.00 0.00 -0.33 -1.23 0.00 0.00 175.04 173.48 1f54 h GLU 45 N 0.00 -0.66 -0.63 -1.46 3.07 -1.99 -1.92 114.58 110.99 1f54 h GLU 45 Ca -0.13 0.05 0.12 0.00 -0.50 0.00 0.00 59.36 58.89 1f54 h GLU 45 Cb 0.64 0.15 -0.12 0.00 -0.84 0.00 0.00 28.75 28.58 1f54 h GLU 45 CO 0.19 -0.44 -0.25 0.00 -1.40 0.00 0.00 179.01 177.10 1f54 h ALA 46 N -0.22 0.19 -0.88 3.43 0.00 -2.00 0.56 119.26 120.33 1f54 h ALA 46 Ca 0.01 0.21 0.17 0.00 0.00 0.00 0.00 54.91 55.30 1f54 h ALA 46 Cb 0.69 0.65 -0.07 0.00 0.00 0.00 0.00 17.79 19.06 1f54 h ALA 46 CO -0.20 -0.55 0.57 1.49 0.00 0.00 0.00 179.25 180.56 1f54 h GLU 47 N -0.09 0.54 0.16 0.00 4.81 -1.81 -2.08 114.58 116.12 1f54 h GLU 47 Ca 0.28 -0.03 -0.01 0.00 -0.13 0.00 0.00 59.36 59.47 1f54 h GLU 47 Cb 0.53 -0.12 0.00 0.00 0.63 0.00 0.00 28.75 29.79 1f54 h GLU 47 CO -0.69 0.36 -0.08 0.28 -0.73 0.00 0.00 179.01 178.15 1f54 h VAL 48 N 0.56 0.96 -0.91 0.32 2.07 0.81 -1.03 116.25 119.02 1f54 h VAL 48 Ca 0.45 -0.93 0.25 0.00 0.82 0.00 0.00 66.70 67.29 1f54 h VAL 48 Cb 0.91 1.49 -0.16 0.00 -1.52 0.00 0.00 31.29 32.01 1f54 h VAL 48 CO -0.20 0.20 0.17 -1.13 0.02 0.00 0.00 177.57 176.64 1f54 h ASN 49 N -0.70 -0.16 0.07 0.57 -0.73 -0.47 0.33 115.58 114.48 1f54 h ASN 49 Ca -0.02 0.23 -0.00 0.00 1.87 0.00 0.00 56.30 58.37 1f54 h ASN 49 Cb 0.50 0.34 0.00 0.00 0.27 0.00 0.00 38.32 39.44 1f54 h ASN 49 CO 0.04 -0.24 -0.03 -0.78 -0.37 0.00 0.00 177.43 176.04 1f54 h ASP 50 N 0.12 -0.08 -0.83 1.15 3.58 -1.46 0.11 116.42 119.01 1f54 h ASP 50 Ca 0.57 -0.53 0.22 0.00 0.42 0.00 0.00 57.03 57.71 1f54 h ASP 50 Cb 1.19 0.02 -0.04 0.00 1.72 0.00 0.00 39.33 42.22 1f54 h ASP 50 CO -0.75 0.55 0.58 -0.07 -2.88 0.00 0.00 179.24 176.68 1f54 h LEU 51 N -0.78 0.15 0.16 2.28 3.38 0.22 -1.13 115.31 119.59 1f54 h LEU 51 Ca -0.01 0.02 -0.36 0.00 0.09 0.00 0.00 57.88 57.62 1f54 h LEU 51 Cb 0.61 -0.01 -0.00 0.00 0.09 0.00 0.00 40.66 41.34 1f54 h LEU 51 CO 0.02 0.06 -1.85 0.24 0.09 0.00 0.00 178.44 176.99 1f54 h MET 52 N 0.15 0.34 0.00 1.13 2.86 -0.39 -3.31 114.93 115.70 1f54 h MET 52 Ca 0.41 -0.57 0.00 0.00 -2.06 0.00 0.00 59.70 57.48 1f54 h MET 52 Cb 1.38 0.21 0.00 0.00 0.06 0.00 0.00 31.60 33.26 1f54 h MET 52 CO -0.07 1.27 0.00 0.09 1.06 0.00 0.00 176.91 179.27 1f54 n ASN 53 N -3.56 0.23 -0.97 1.22 4.13 0.38 0.25 115.26 116.95 1f54 n ASN 53 Ca -0.28 0.59 0.10 0.00 1.68 0.00 0.00 54.58 56.67 1f54 n ASN 53 Cb 1.06 -0.63 0.16 0.00 -1.54 0.00 0.00 39.78 38.83 1f54 n ASN 53 CO 0.00 0.00 0.00 1.21 0.28 0.00 0.00 177.26 178.75 1f54 n GLU 54 N -1.79 2.21 0.00 3.52 2.13 -0.54 -4.75 120.64 121.42 1f54 n GLU 54 Ca 0.01 -2.03 0.00 0.00 0.66 0.00 0.00 57.16 55.80 1f54 n GLU 54 Cb 0.08 -1.44 0.00 0.00 0.27 0.00 0.00 31.44 30.35 1f54 n GLU 54 CO 0.00 0.00 0.00 1.51 -0.41 0.00 0.00 177.13 178.23 1f54 n ILE 55 N 1.25 0.00 -0.28 6.31 3.06 -0.15 -4.97 119.36 124.59 1f54 n ILE 55 Ca 0.16 0.00 -0.11 0.00 -2.50 0.00 0.00 62.75 60.30 1f54 n ILE 55 Cb 0.54 0.00 -0.08 0.00 0.54 0.00 0.00 39.64 40.64 1f54 n ILE 55 CO 0.00 0.00 0.00 -0.78 -2.50 0.00 0.00 176.55 173.27 1f54 h ASP 56 N 0.00 -1.89 0.00 9.51 3.58 0.31 -3.42 116.42 124.51 1f54 h ASP 56 Ca 0.00 0.28 0.00 0.00 0.42 0.00 0.00 57.03 57.73 1f54 h ASP 56 Cb 0.00 0.83 0.00 0.00 1.72 0.00 0.00 39.33 41.88 1f54 h ASP 56 CO 0.00 -0.32 0.00 0.52 -2.88 0.00 0.00 179.24 176.56 1f54 n VAL 57 N -5.34 0.00 -0.50 2.25 0.31 -1.20 -4.57 118.33 109.28 1f54 n VAL 57 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.33 1f54 n VAL 57 Cb 0.32 0.00 0.00 0.00 -0.91 0.00 0.00 33.84 33.25 1f54 n VAL 57 CO 0.00 0.00 0.00 -0.67 -1.32 0.00 0.00 176.83 174.84 1f54 n ASP 58 N 1.69 -0.32 0.00 4.52 2.03 -1.26 -5.03 116.55 118.19 1f54 n ASP 58 Ca 0.00 -0.50 0.00 0.00 0.52 0.00 0.00 54.79 54.81 1f54 n ASP 58 Cb 0.00 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.40 1f54 n ASP 58 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1f54 n GLY 59 N 3.80 -0.04 3.11 0.27 0.00 -1.26 -4.65 105.19 106.42 1f54 n GLY 59 Ca 0.00 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.65 1f54 n GLY 59 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1f54 s ASN 60 N -2.09 5.51 0.61 1.61 0.01 -1.26 -4.92 114.94 114.41 1f54 s ASN 60 Ca 0.00 -3.08 -0.03 0.00 -0.71 0.00 0.00 52.86 49.04 1f54 s ASN 60 Cb 0.00 -1.89 0.04 0.00 0.41 0.00 0.00 41.25 39.81 1f54 s ASN 60 CO 0.00 -0.33 0.89 -1.38 -1.51 0.00 0.00 177.10 174.76 1f54 s HIS 61 N -0.39 2.95 -0.48 2.20 -3.43 -1.26 -4.98 115.29 109.90 1f54 s HIS 61 Ca 0.20 0.27 -0.14 0.00 -0.80 0.00 0.00 55.06 54.59 1f54 s HIS 61 Cb -0.16 -2.91 0.09 0.00 -1.43 0.00 0.00 32.58 28.16 1f54 s HIS 61 CO -0.06 -1.07 0.39 1.14 -2.00 0.00 0.00 174.74 173.14 1f54 s GLN 62 N -4.98 2.88 0.93 -0.38 0.00 -1.26 -3.82 119.66 113.02 1f54 s GLN 62 Ca 0.58 -1.48 -0.12 0.00 -0.00 0.00 0.00 55.36 54.34 1f54 s GLN 62 Cb -0.11 -4.09 0.15 0.00 0.00 0.00 0.00 33.01 28.97 1f54 s GLN 62 CO 0.42 -1.09 1.09 0.42 0.00 0.00 0.00 175.29 176.13 1f54 s ILE 63 N 1.57 2.45 -0.07 3.63 1.01 0.39 -4.74 121.20 125.44 1f54 s ILE 63 Ca 0.04 0.14 0.02 0.00 0.00 0.00 0.00 60.65 60.85 1f54 s ILE 63 Cb -0.25 -2.64 0.02 0.00 0.01 0.00 0.00 42.46 39.59 1f54 s ILE 63 CO 0.04 -0.19 -0.11 -1.61 0.00 0.00 0.00 174.94 173.08 1f54 s GLU 64 N -4.96 1.57 0.47 2.79 2.02 -1.26 -1.44 118.70 117.89 1f54 s GLU 64 Ca 0.64 -0.36 0.34 0.00 0.02 0.00 0.00 54.97 55.61 1f54 s GLU 64 Cb -0.18 -1.34 1.47 0.00 0.10 0.00 0.00 34.13 34.18 1f54 s GLU 64 CO 0.57 -0.01 1.65 0.35 0.02 0.00 0.00 175.26 177.84 1f54 h PHE 65 N 7.10 0.37 0.00 1.61 3.57 -1.75 0.13 116.94 127.97 1f54 h PHE 65 Ca -0.32 0.02 0.00 0.00 3.53 0.00 0.00 57.97 61.20 1f54 h PHE 65 Cb 1.18 -0.09 0.00 0.00 2.79 0.00 0.00 35.95 39.82 1f54 h PHE 65 CO 0.49 -0.12 0.00 0.43 -2.23 0.00 0.00 178.31 176.88 1f54 n SER 66 N -4.48 0.00 -0.40 0.41 7.64 -1.26 -2.48 113.62 113.05 1f54 n SER 66 Ca 0.36 0.30 0.32 0.00 1.01 0.00 0.00 58.87 60.86 1f54 n SER 66 Cb 1.48 0.00 0.60 0.00 -1.01 0.00 0.00 64.21 65.28 1f54 n SER 66 CO 0.00 0.00 0.00 1.05 -3.01 0.00 0.00 175.04 173.08 1f54 h GLU 67 N 0.00 0.19 -0.01 1.43 -0.00 -1.90 0.07 114.58 114.35 1f54 h GLU 67 Ca 0.00 -0.01 0.02 0.00 -0.00 0.00 0.00 59.36 59.37 1f54 h GLU 67 Cb 0.00 -0.04 -0.05 0.00 -0.00 0.00 0.00 28.75 28.65 1f54 h GLU 67 CO 0.00 0.13 -0.53 0.35 -0.00 0.00 0.00 179.01 178.96 1f54 h PHE 68 N 0.20 -1.55 -0.02 2.06 3.57 -0.76 -0.92 116.94 119.52 1f54 h PHE 68 Ca 0.73 0.05 -0.04 0.00 3.53 0.00 0.00 57.97 62.24 1f54 h PHE 68 Cb 2.17 0.68 0.00 0.00 2.79 0.00 0.00 35.95 41.59 1f54 h PHE 68 CO -0.00 -0.56 -0.15 -0.07 -2.23 0.00 0.00 178.31 175.30 1f54 h LEU 69 N -0.65 0.17 -1.45 0.59 4.07 -0.79 -1.02 115.31 116.23 1f54 h LEU 69 Ca 0.01 -0.70 0.27 0.00 0.08 0.00 0.00 57.88 57.55 1f54 h LEU 69 Cb 0.70 -0.05 -0.04 0.00 1.08 0.00 0.00 40.66 42.35 1f54 h LEU 69 CO -0.36 0.84 0.99 0.00 -1.08 0.00 0.00 178.44 178.83 1f54 h ALA 70 N 0.33 2.80 0.00 1.53 0.00 -0.94 0.21 119.26 123.20 1f54 h ALA 70 Ca -0.01 -0.03 -0.38 0.00 0.00 0.00 0.00 54.91 54.48 1f54 h ALA 70 Cb 0.84 0.07 -0.07 0.00 0.00 0.00 0.00 17.79 18.63 1f54 h ALA 70 CO 0.03 -1.47 -2.45 1.28 0.00 0.00 0.00 179.25 176.64 1f54 n LEU 71 N -3.48 2.52 0.27 0.00 4.77 -0.36 -4.32 117.00 116.40 1f54 n LEU 71 Ca 0.20 -0.12 0.12 0.00 -0.03 0.00 0.00 56.01 56.18 1f54 n LEU 71 Cb 1.29 -0.69 0.75 0.00 -2.33 0.00 0.00 43.42 42.44 1f54 n LEU 71 CO 0.27 0.87 1.04 0.24 -1.33 0.00 0.00 177.39 178.48 1f54 h MET 72 N 0.00 0.00 0.00 3.23 2.86 0.71 -0.96 114.93 120.77 1f54 h MET 72 Ca -0.57 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.07 1f54 h MET 72 Cb 1.95 0.00 0.00 0.00 0.06 0.00 0.00 31.60 33.61 1f54 h MET 72 CO -0.07 0.06 0.00 -1.13 1.06 0.00 0.00 176.91 176.83 1f54 n SER 73 N -4.01 0.16 -0.03 1.22 3.41 -0.01 -2.44 113.62 111.91 1f54 n SER 73 Ca -0.03 0.56 -0.13 0.00 -0.26 0.00 0.00 58.87 59.02 1f54 n SER 73 Cb 0.15 -0.59 -0.08 0.00 -0.26 0.00 0.00 64.21 63.43 1f54 n SER 73 CO 0.00 0.00 0.00 -0.09 -0.16 0.00 0.00 175.04 174.79 1f54 h ARG 74 N 0.00 0.17 -2.05 4.33 2.43 -1.42 -3.36 114.38 114.47 1f54 h ARG 74 Ca 0.00 -0.08 -0.55 0.00 -0.81 0.00 0.00 59.98 58.54 1f54 h ARG 74 Cb 0.09 0.00 -0.41 0.00 -0.42 0.00 0.00 29.97 29.22 1f54 h ARG 74 CO 0.00 0.58 -0.82 0.94 -1.51 0.00 0.00 179.97 179.16 1f54 n GLN 75 N -4.73 2.58 -3.33 0.20 7.27 -1.02 -4.94 117.38 113.40 1f54 n GLN 75 Ca -0.07 -4.36 -0.47 0.00 0.07 0.00 0.00 57.00 52.17 1f54 n GLN 75 Cb 0.29 -2.05 -0.03 0.00 2.41 0.00 0.00 30.24 30.86 1f54 n GLN 75 CO 0.00 0.00 0.00 -1.17 0.07 0.00 0.00 177.06 175.96 1f54 s LEU 76 N -3.20 6.67 0.00 1.69 2.96 -1.13 -5.03 118.68 120.64 1f54 s LEU 76 Ca 0.45 -2.56 0.01 0.00 -0.22 0.00 0.00 54.13 51.81 1f54 s LEU 76 Cb 0.32 -2.21 0.00 0.00 0.50 0.00 0.00 46.19 44.81 1f54 s LEU 76 CO -0.12 -0.61 0.52 1.17 -1.32 0.00 0.00 176.35 175.98