#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 0.07 0.24 -3.46 3.41 -1.26 -4.69 113.62 107.93 1f54 n SER 2 Ca 0.00 -0.46 0.11 0.00 -0.26 0.00 0.00 58.87 58.26 1f54 n SER 2 Cb 0.00 -0.96 0.61 0.00 -0.26 0.00 0.00 64.21 63.60 1f54 n SER 2 CO 0.00 0.00 0.00 -0.55 -0.16 0.00 0.00 175.04 174.33 1f54 h ASN 3 N 12.66 0.00 -2.66 4.04 -1.07 -2.03 -3.49 115.58 123.03 1f54 h ASN 3 Ca -0.03 0.00 0.26 0.00 0.07 0.00 0.00 56.30 56.60 1f54 h ASN 3 Cb 1.18 0.00 -0.10 0.00 -2.07 0.00 0.00 38.32 37.33 1f54 h ASN 3 CO 1.40 0.17 -0.63 -0.11 0.07 0.00 0.00 177.43 178.33 1f54 n LEU 4 N -3.53 -0.61 0.00 6.14 7.94 -1.26 -5.03 117.00 120.65 1f54 n LEU 4 Ca -0.01 1.40 0.00 0.00 -1.11 0.00 0.00 56.01 56.29 1f54 n LEU 4 Cb 0.32 -3.73 0.00 0.00 0.53 0.00 0.00 43.42 40.54 1f54 n LEU 4 CO 0.31 -2.13 0.00 0.41 -1.11 0.00 0.00 177.39 174.88 1f54 n THR 5 N -3.60 0.00 0.00 1.96 -1.04 -1.26 -5.02 114.28 105.32 1f54 n THR 5 Ca -0.03 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 61.98 1f54 n THR 5 Cb 0.63 0.00 0.00 0.00 -1.82 0.00 0.00 70.33 69.14 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 4.71 -1.26 -2.37 120.64 118.59 1f54 n GLU 6 Ca 0.00 0.46 0.15 0.00 -0.01 0.00 0.00 57.16 57.76 1f54 n GLU 6 Cb 0.00 -1.36 0.32 0.00 -1.01 0.00 0.00 31.44 29.38 1f54 n GLU 6 CO 0.00 0.00 0.00 0.93 0.09 0.00 0.00 177.13 178.15 1f54 h GLU 7 N 0.00 0.10 -0.02 3.49 5.08 -1.99 0.02 114.58 121.26 1f54 h GLU 7 Ca 0.00 -0.01 0.02 0.00 -1.00 0.00 0.00 59.36 58.38 1f54 h GLU 7 Cb 0.00 -0.02 -0.06 0.00 0.50 0.00 0.00 28.75 29.17 1f54 h GLU 7 CO 0.00 0.07 -0.54 0.37 -1.00 0.00 0.00 179.01 177.91 1f54 h GLN 8 N 0.10 -0.64 -0.93 2.33 4.15 -1.95 0.30 115.11 118.48 1f54 h GLN 8 Ca 0.60 0.04 0.17 0.00 0.77 0.00 0.00 58.65 60.23 1f54 h GLN 8 Cb 1.26 0.14 -0.08 0.00 0.21 0.00 0.00 27.48 29.02 1f54 h GLN 8 CO -0.77 -0.42 0.60 0.82 -1.93 0.00 0.00 178.83 177.12 1f54 h ILE 9 N -0.66 0.75 0.86 2.39 2.04 -0.62 -2.36 117.51 119.91 1f54 h ILE 9 Ca 0.02 -0.22 -0.04 0.00 1.00 0.00 0.00 64.86 65.62 1f54 h ILE 9 Cb 0.72 0.06 0.01 0.00 -0.74 0.00 0.00 36.82 36.87 1f54 h ILE 9 CO -0.37 0.12 -0.44 0.00 0.00 0.00 0.00 178.15 177.46 1f54 h ALA 10 N 1.61 -1.31 -1.11 1.87 0.00 -0.37 -2.13 119.26 117.83 1f54 h ALA 10 Ca 0.49 -0.26 0.30 0.00 0.00 0.00 0.00 54.91 55.45 1f54 h ALA 10 Cb 0.90 0.49 -0.09 0.00 0.00 0.00 0.00 17.79 19.10 1f54 h ALA 10 CO -0.24 -1.23 0.74 0.93 0.00 0.00 0.00 179.25 179.44 1f54 h GLU 11 N -1.18 0.25 -0.05 0.00 5.08 -0.76 0.71 114.58 118.63 1f54 h GLU 11 Ca -0.12 -0.02 -0.00 0.00 -1.00 0.00 0.00 59.36 58.22 1f54 h GLU 11 Cb 0.92 -0.06 -0.00 0.00 0.50 0.00 0.00 28.75 30.11 1f54 h GLU 11 CO 0.18 0.17 0.02 0.74 -1.00 0.00 0.00 179.01 179.11 1f54 h PHE 12 N 0.26 0.07 -0.03 4.33 -1.00 -0.96 -2.55 116.94 117.06 1f54 h PHE 12 Ca 0.61 -0.01 0.04 0.00 2.81 0.00 0.00 57.97 61.42 1f54 h PHE 12 Cb 1.81 -0.02 -0.05 0.00 3.61 0.00 0.00 35.95 41.30 1f54 h PHE 12 CO -0.00 0.24 -0.26 -0.22 -1.61 0.00 0.00 178.31 176.45 1f54 h LYS 13 N -0.11 -0.37 -1.00 1.51 3.64 -0.24 0.48 116.57 120.48 1f54 h LYS 13 Ca 0.02 0.03 0.22 0.00 -1.27 0.00 0.00 60.65 59.64 1f54 h LYS 13 Cb 0.20 0.08 -0.11 0.00 -0.41 0.00 0.00 32.23 31.99 1f54 h LYS 13 CO -0.00 -0.25 0.61 1.49 -2.27 0.00 0.00 179.45 179.03 1f54 h GLU 14 N -0.38 0.65 0.00 1.90 4.81 -1.42 0.14 114.58 120.27 1f54 h GLU 14 Ca 0.07 -0.04 0.00 0.00 -0.13 0.00 0.00 59.36 59.26 1f54 h GLU 14 Cb 0.48 -0.15 0.00 0.00 0.63 0.00 0.00 28.75 29.72 1f54 h GLU 14 CO -0.25 0.43 0.00 0.00 -0.73 0.00 0.00 179.01 178.45 1f54 n ALA 15 N -2.34 -0.23 -0.32 2.92 0.00 -0.31 -0.81 120.51 119.43 1f54 n ALA 15 Ca 0.25 0.00 0.09 0.00 0.00 0.00 0.00 53.44 53.77 1f54 n ALA 15 Cb 0.66 0.00 0.20 0.00 0.00 0.00 0.00 19.45 20.31 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 -0.22 0.00 0.00 3.04 -0.80 1.58 116.94 120.54 1f54 h PHE 16 Ca 0.00 0.07 -0.03 0.00 3.98 0.00 0.00 57.97 61.99 1f54 h PHE 16 Cb 0.00 0.24 -0.00 0.00 2.56 0.00 0.00 35.95 38.75 1f54 h PHE 16 CO 0.10 -0.38 -0.17 0.00 -2.02 0.00 0.00 178.31 175.85 1f54 h ALA 17 N 1.90 1.05 0.00 2.41 0.00 -0.80 -2.68 119.26 121.14 1f54 h ALA 17 Ca 0.50 -0.15 0.00 0.00 0.00 0.00 0.00 54.91 55.26 1f54 h ALA 17 Cb 0.91 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.67 1f54 h ALA 17 CO -0.88 0.21 0.00 -0.11 0.00 0.00 0.00 179.25 178.47 1f54 n LEU 18 N -3.36 0.45 0.00 0.00 0.00 0.54 -1.69 117.00 112.94 1f54 n LEU 18 Ca -0.00 0.69 0.00 0.00 0.00 0.00 0.00 56.01 56.70 1f54 n LEU 18 Cb 0.38 -0.73 0.00 0.00 0.00 0.00 0.00 43.42 43.06 1f54 n LEU 18 CO 0.32 -0.81 0.39 0.49 0.00 0.00 0.00 177.39 177.78 1f54 n PHE 19 N -2.09 0.00 -1.90 1.96 3.01 -1.02 -4.97 117.46 112.45 1f54 n PHE 19 Ca -0.01 -0.29 -0.23 0.00 1.01 0.00 0.00 57.45 57.94 1f54 n PHE 19 Cb 0.05 -0.03 -0.06 0.00 -0.01 0.00 0.00 39.48 39.43 1f54 n PHE 19 CO 0.00 0.00 0.00 0.16 1.01 0.00 0.00 176.76 177.93 1f54 s ASP 20 N -0.57 4.71 0.19 4.37 -4.77 -0.68 -4.76 116.67 115.15 1f54 s ASP 20 Ca 0.00 -0.60 -0.12 0.00 -3.30 0.00 0.00 52.55 48.53 1f54 s ASP 20 Cb 0.00 -2.56 0.12 0.00 -1.09 0.00 0.00 42.92 39.39 1f54 s ASP 20 CO 0.00 -3.19 1.86 0.11 0.70 0.00 0.00 175.17 174.66 1f54 h LYS 21 N 11.51 0.86 0.00 2.11 1.79 -1.89 -1.03 116.57 129.92 1f54 h LYS 21 Ca 0.08 -0.05 -0.01 0.00 -2.18 0.00 0.00 60.65 58.49 1f54 h LYS 21 Cb 1.00 -0.19 -0.00 0.00 -1.58 0.00 0.00 32.23 31.45 1f54 h LYS 21 CO 1.15 0.57 -0.03 -0.44 -1.08 0.00 0.00 179.45 179.62 1f54 h ASP 22 N 0.89 0.00 -1.65 0.86 3.32 -1.86 -3.46 116.42 114.52 1f54 h ASP 22 Ca 0.24 0.00 -0.32 0.00 0.02 0.00 0.00 57.03 56.97 1f54 h ASP 22 Cb -0.10 0.00 -0.06 0.00 0.22 0.00 0.00 39.33 39.39 1f54 h ASP 22 CO -0.05 0.03 -0.36 -3.20 -1.72 0.00 0.00 179.24 173.93 1f54 n ASN 23 N -3.19 -4.83 -0.12 6.45 2.85 -0.39 -4.85 115.26 111.18 1f54 n ASN 23 Ca -0.01 0.15 0.01 0.00 -0.11 0.00 0.00 54.58 54.63 1f54 n ASN 23 Cb 0.21 -3.86 0.02 0.00 1.24 0.00 0.00 39.78 37.39 1f54 n ASN 23 CO 0.00 0.00 0.00 -0.46 -2.11 0.00 0.00 177.26 174.69 1f54 n ASN 24 N -0.85 1.62 0.00 1.20 0.23 -1.26 -4.96 115.26 111.24 1f54 n ASN 24 Ca -0.18 -1.48 0.00 0.00 -0.53 0.00 0.00 54.58 52.39 1f54 n ASN 24 Cb 0.59 -0.02 0.00 0.00 -2.08 0.00 0.00 39.78 38.27 1f54 n ASN 24 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 1f54 n GLY 25 N -0.04 1.21 2.94 4.83 0.00 -1.26 -5.06 105.19 107.82 1f54 n GLY 25 Ca 0.02 -0.05 -0.15 0.00 0.00 0.00 0.00 46.02 45.83 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 -2.05 0.50 0.17 1.61 1.04 -1.26 -2.29 113.70 111.42 1f54 s SER 26 Ca 0.00 -0.08 0.08 0.00 0.48 0.00 0.00 55.95 56.43 1f54 s SER 26 Cb 0.00 -0.06 -0.04 0.00 0.10 0.00 0.00 66.02 66.02 1f54 s SER 26 CO 0.00 0.05 -0.16 0.27 0.98 0.00 0.00 173.24 174.38 1f54 s ILE 27 N -0.08 1.67 0.57 -1.02 -4.36 -0.25 -4.24 121.20 113.50 1f54 s ILE 27 Ca 0.01 -2.01 -0.15 0.00 -0.26 0.00 0.00 60.65 58.24 1f54 s ILE 27 Cb -0.02 -1.87 -0.05 0.00 1.25 0.00 0.00 42.46 41.77 1f54 s ILE 27 CO -0.00 -0.47 1.02 -0.44 0.24 0.00 0.00 174.94 175.29 1f54 s SER 28 N -2.92 6.19 0.22 4.36 0.01 -1.26 0.97 113.70 121.27 1f54 s SER 28 Ca 0.17 1.65 -0.10 0.00 1.31 0.00 0.00 55.95 58.98 1f54 s SER 28 Cb -0.03 -2.51 0.32 0.00 0.21 0.00 0.00 66.02 64.00 1f54 s SER 28 CO 0.06 -0.89 1.65 -1.28 0.41 0.00 0.00 173.24 173.19 1f54 h SER 29 N 0.50 -0.33 -0.24 2.44 0.87 -1.97 0.76 113.55 115.57 1f54 h SER 29 Ca -0.46 0.17 0.07 0.00 -1.23 0.00 0.00 61.79 60.33 1f54 h SER 29 Cb 1.20 0.30 -0.01 0.00 -0.44 0.00 0.00 62.40 63.45 1f54 h SER 29 CO 0.60 -0.14 0.32 -1.28 -0.53 0.00 0.00 176.83 175.80 1f54 h SER 30 N 0.10 0.00 0.50 6.23 0.87 -1.94 0.02 113.55 119.33 1f54 h SER 30 Ca 0.34 0.00 -0.30 0.00 -1.23 0.00 0.00 61.79 60.60 1f54 h SER 30 Cb 0.55 0.00 -0.01 0.00 -0.44 0.00 0.00 62.40 62.50 1f54 h SER 30 CO -0.57 0.00 -1.49 -0.33 -0.53 0.00 0.00 176.83 173.91 1f54 h GLU 31 N 0.00 0.22 -0.81 2.24 4.39 0.16 -3.32 114.58 117.46 1f54 h GLU 31 Ca 0.11 -0.37 0.07 0.00 0.34 0.00 0.00 59.36 59.52 1f54 h GLU 31 Cb 0.75 0.14 -0.05 0.00 -0.10 0.00 0.00 28.75 29.49 1f54 h GLU 31 CO -0.00 1.07 0.53 1.25 -1.16 0.00 0.00 179.01 180.70 1f54 h LEU 32 N 0.06 0.74 -0.77 1.33 5.85 -0.17 -1.26 115.31 121.09 1f54 h LEU 32 Ca -0.22 0.01 0.05 0.00 0.84 0.00 0.00 57.88 58.56 1f54 h LEU 32 Cb 1.99 -0.15 -0.06 0.00 0.37 0.00 0.00 40.66 42.82 1f54 h LEU 32 CO 0.16 0.47 0.47 0.00 -0.34 0.00 0.00 178.44 179.19 1f54 h ALA 33 N 1.57 1.04 0.41 1.25 0.00 -1.62 -0.54 119.26 121.37 1f54 h ALA 33 Ca 0.35 -0.00 -0.02 0.00 0.00 0.00 0.00 54.91 55.24 1f54 h ALA 33 Cb 0.29 -0.20 0.00 0.00 0.00 0.00 0.00 17.79 17.89 1f54 h ALA 33 CO -0.13 0.20 -0.20 1.15 0.00 0.00 0.00 179.25 180.27 1f54 h THR 34 N 0.87 0.00 -1.31 0.00 2.02 -1.39 -2.72 112.91 110.38 1f54 h THR 34 Ca 0.33 -0.12 0.40 0.00 0.77 0.00 0.00 66.41 67.79 1f54 h THR 34 Cb 0.14 0.00 -0.11 0.00 -1.74 0.00 0.00 68.15 66.44 1f54 h THR 34 CO -0.16 0.00 0.86 -0.37 0.37 0.00 0.00 175.52 176.22 1f54 h VAL 35 N -0.67 0.23 0.81 3.16 -1.51 -1.38 0.23 116.25 117.11 1f54 h VAL 35 Ca -0.06 -0.05 -0.04 0.00 -1.23 0.00 0.00 66.70 65.33 1f54 h VAL 35 Cb 0.42 0.08 0.00 0.00 -2.13 0.00 0.00 31.29 29.67 1f54 h VAL 35 CO 0.09 0.02 -0.44 -0.03 -1.23 0.00 0.00 177.57 175.99 1f54 h MET 36 N 0.14 -1.11 0.00 5.19 4.05 -0.84 -2.37 114.93 119.99 1f54 h MET 36 Ca 0.76 0.08 0.00 0.00 -0.28 0.00 0.00 59.70 60.25 1f54 h MET 36 Cb 2.42 0.25 0.00 0.00 -0.80 0.00 0.00 31.60 33.47 1f54 h MET 36 CO -0.31 -0.74 0.00 0.00 0.23 0.00 0.00 176.91 176.09 1f54 h ARG 37 N -1.15 0.00 -0.21 0.39 3.08 -0.76 -2.95 114.38 112.79 1f54 h ARG 37 Ca -0.11 0.00 -0.12 0.00 0.07 0.00 0.00 59.98 59.82 1f54 h ARG 37 Cb 0.90 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.94 1f54 h ARG 37 CO 0.15 0.00 -0.37 1.03 -1.07 0.00 0.00 179.97 179.72 1f54 h SER 38 N 0.00 0.47 0.16 7.04 0.87 -0.25 -2.69 113.55 119.14 1f54 h SER 38 Ca 0.00 -0.19 -0.02 0.00 -1.23 0.00 0.00 61.79 60.35 1f54 h SER 38 Cb 0.48 -0.13 -0.00 0.00 -0.44 0.00 0.00 62.40 62.31 1f54 h SER 38 CO 0.00 0.80 -0.09 -0.07 -0.53 0.00 0.00 176.83 176.94 1f54 h LEU 39 N 0.38 0.00 0.00 2.23 3.38 -1.25 -3.44 115.31 116.61 1f54 h LEU 39 Ca 0.04 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.01 1f54 h LEU 39 Cb 0.82 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.57 1f54 h LEU 39 CO 0.07 0.09 0.00 0.61 0.09 0.00 0.00 178.44 179.30 1f54 n GLY 40 N -1.09 0.68 3.31 0.83 0.00 -1.02 -5.12 105.19 102.78 1f54 n GLY 40 Ca -0.03 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 45.80 1f54 n GLY 40 CO 0.00 0.00 0.00 0.48 0.00 0.00 0.00 173.32 173.80 1f54 s LEU 41 N 0.00 1.69 -0.39 0.99 2.34 -1.18 -5.07 118.68 117.06 1f54 s LEU 41 Ca 0.00 -1.67 0.01 0.00 0.06 0.00 0.00 54.13 52.53 1f54 s LEU 41 Cb 0.00 0.40 0.19 0.00 -0.56 0.00 0.00 46.19 46.21 1f54 s LEU 41 CO 0.00 -0.99 0.83 -0.44 -1.06 0.00 0.00 176.35 174.69 1f54 s SER 42 N -3.37 -0.99 0.00 1.48 0.01 -1.26 -4.13 113.70 105.44 1f54 s SER 42 Ca 0.38 -0.68 0.00 0.00 1.31 0.00 0.00 55.95 56.96 1f54 s SER 42 Cb 0.03 1.28 0.00 0.00 0.21 0.00 0.00 66.02 67.54 1f54 s SER 42 CO 0.22 -0.09 0.00 -0.81 0.41 0.00 0.00 173.24 172.97 1f54 n PRO 43 N 3.76 1.04 -4.37 12.44 -0.04 -1.26 -5.09 135.00 141.47 1f54 n PRO 43 Ca 0.10 0.00 -0.19 0.00 -0.04 0.00 0.00 63.50 63.38 1f54 n PRO 43 Cb 0.60 0.00 -0.10 0.00 -0.04 0.00 0.00 33.50 33.95 1f54 n PRO 43 CO 0.00 0.00 0.00 -1.12 -0.04 0.00 0.00 175.50 174.34 1f54 s SER 44 N -1.42 1.70 0.08 3.54 0.01 -1.26 -5.01 113.70 111.34 1f54 s SER 44 Ca 0.00 -1.39 -0.19 0.00 1.31 0.00 0.00 55.95 55.68 1f54 s SER 44 Cb 0.00 0.07 -0.06 0.00 0.21 0.00 0.00 66.02 66.24 1f54 s SER 44 CO 0.00 -0.68 1.32 -0.33 0.41 0.00 0.00 173.24 173.96 1f54 h GLU 45 N 2.26 -0.16 -0.76 12.44 5.08 -1.99 0.09 114.58 131.55 1f54 h GLU 45 Ca -0.39 0.01 0.11 0.00 -1.00 0.00 0.00 59.36 58.09 1f54 h GLU 45 Cb 1.25 0.04 -0.13 0.00 0.50 0.00 0.00 28.75 30.41 1f54 h GLU 45 CO 0.64 -0.10 -0.42 0.00 -1.00 0.00 0.00 179.01 178.13 1f54 h ALA 46 N -0.41 -0.16 -0.89 3.43 0.00 -2.00 0.99 119.26 120.23 1f54 h ALA 46 Ca 0.06 0.17 0.20 0.00 0.00 0.00 0.00 54.91 55.34 1f54 h ALA 46 Cb 0.32 1.00 -0.06 0.00 0.00 0.00 0.00 17.79 19.04 1f54 h ALA 46 CO -0.42 -0.76 0.59 1.49 0.00 0.00 0.00 179.25 180.15 1f54 h GLU 47 N -0.12 0.38 -0.11 0.00 4.22 -1.56 -0.95 114.58 116.43 1f54 h GLU 47 Ca 0.24 -0.02 -0.06 0.00 0.08 0.00 0.00 59.36 59.59 1f54 h GLU 47 Cb 0.55 -0.09 -0.00 0.00 0.50 0.00 0.00 28.75 29.72 1f54 h GLU 47 CO -0.81 0.25 -0.16 0.28 -2.18 0.00 0.00 179.01 176.39 1f54 h VAL 48 N 0.39 1.38 -0.80 0.32 2.07 0.28 -1.35 116.25 118.54 1f54 h VAL 48 Ca 0.46 -1.40 0.17 0.00 0.82 0.00 0.00 66.70 66.75 1f54 h VAL 48 Cb 1.16 2.05 -0.11 0.00 -1.52 0.00 0.00 31.29 32.87 1f54 h VAL 48 CO -0.17 0.40 0.30 -1.13 0.02 0.00 0.00 177.57 177.00 1f54 h ASN 49 N -0.13 0.23 0.29 0.57 -1.24 0.36 -0.08 115.58 115.58 1f54 h ASN 49 Ca 0.01 0.13 -0.22 0.00 0.71 0.00 0.00 56.30 56.93 1f54 h ASN 49 Cb 0.73 0.13 0.00 0.00 0.73 0.00 0.00 38.32 39.91 1f54 h ASN 49 CO 0.04 0.03 -0.92 0.44 -1.29 0.00 0.00 177.43 175.73 1f54 h ASP 50 N 0.39 0.56 -0.13 1.15 5.19 -1.46 -2.53 116.42 119.59 1f54 h ASP 50 Ca 0.46 -0.44 0.05 0.00 -0.62 0.00 0.00 57.03 56.48 1f54 h ASP 50 Cb 0.79 -0.17 -0.06 0.00 0.18 0.00 0.00 39.33 40.07 1f54 h ASP 50 CO -0.48 1.24 -0.28 -0.07 -3.12 0.00 0.00 179.24 176.53 1f54 h LEU 51 N 0.25 -0.87 -0.13 1.55 4.07 0.16 -1.50 115.31 118.85 1f54 h LEU 51 Ca -0.08 0.13 -0.04 0.00 0.08 0.00 0.00 57.88 57.97 1f54 h LEU 51 Cb 1.56 0.38 -0.00 0.00 1.08 0.00 0.00 40.66 43.67 1f54 h LEU 51 CO 0.16 -0.33 -0.09 0.24 -1.08 0.00 0.00 178.44 177.34 1f54 h MET 52 N -0.35 0.29 -0.18 1.13 2.86 -1.48 -2.78 114.93 114.41 1f54 h MET 52 Ca 0.10 -0.14 0.05 0.00 -2.06 0.00 0.00 59.70 57.65 1f54 h MET 52 Cb 0.50 -0.00 -0.01 0.00 0.06 0.00 0.00 31.60 32.15 1f54 h MET 52 CO -0.33 0.66 0.56 -0.91 1.06 0.00 0.00 176.91 177.95 1f54 h ASN 53 N -0.08 0.00 0.19 1.22 4.21 -1.11 2.39 115.58 122.40 1f54 h ASN 53 Ca 0.02 0.00 0.00 0.00 1.21 0.00 0.00 56.30 57.53 1f54 h ASN 53 Cb 0.59 0.00 0.00 0.00 -1.12 0.00 0.00 38.32 37.79 1f54 h ASN 53 CO 0.03 0.00 -0.06 1.21 -1.29 0.00 0.00 177.43 177.32 1f54 n GLU 54 N -3.03 0.97 0.00 0.81 2.13 -0.60 -4.54 120.64 116.38 1f54 n GLU 54 Ca 0.03 -0.33 0.00 0.00 0.66 0.00 0.00 57.16 57.52 1f54 n GLU 54 Cb 0.65 -1.49 0.00 0.00 0.27 0.00 0.00 31.44 30.87 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 -0.73 0.00 -1.63 6.31 3.06 0.49 -5.09 119.36 121.78 1f54 n ILE 55 Ca 0.18 0.00 -0.54 0.00 -2.50 0.00 0.00 62.75 59.89 1f54 n ILE 55 Cb 0.25 -0.14 -0.06 0.00 0.54 0.00 0.00 39.64 40.23 1f54 n ILE 55 CO 0.00 0.00 0.00 -0.67 -2.50 0.00 0.00 176.55 173.38 1f54 n ASP 56 N -2.07 1.83 -0.00 9.51 -0.08 0.69 -4.84 116.55 121.59 1f54 n ASP 56 Ca 0.00 1.11 0.02 0.00 -1.51 0.00 0.00 54.79 54.41 1f54 n ASP 56 Cb 0.00 -1.17 -0.03 0.00 2.34 0.00 0.00 41.12 42.26 1f54 n ASP 56 CO 0.00 0.00 0.00 0.52 0.12 0.00 0.00 177.20 177.84 1f54 n VAL 57 N 3.13 0.00 -3.61 5.18 0.31 -1.26 -4.72 118.33 117.35 1f54 n VAL 57 Ca 0.21 -0.29 -0.06 0.00 -0.01 0.00 0.00 64.34 64.19 1f54 n VAL 57 Cb 0.17 0.78 0.00 0.00 -0.91 0.00 0.00 33.84 33.88 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 -1.31 -1.06 -0.23 4.52 -0.08 -1.26 -5.05 116.55 112.08 1f54 n ASP 58 Ca 0.00 -1.97 -0.13 0.00 -1.51 0.00 0.00 54.79 51.19 1f54 n ASP 58 Cb 0.09 1.83 -0.09 0.00 2.34 0.00 0.00 41.12 45.29 1f54 n ASP 58 CO 0.00 0.00 0.00 1.23 0.12 0.00 0.00 177.20 178.55 1f54 h GLY 59 N 1.11 -0.91 -1.57 0.27 0.00 -2.04 -3.43 103.07 96.50 1f54 h GLY 59 Ca -0.17 0.73 -0.51 0.00 0.00 0.00 0.00 47.33 47.38 1f54 h GLY 59 CO 0.22 -0.07 -0.54 -1.31 0.00 0.00 0.00 176.54 174.84 1f54 s ASN 60 N -5.20 2.43 -0.04 0.19 -0.87 -1.26 -5.04 114.94 105.15 1f54 s ASN 60 Ca -0.14 -1.59 -0.30 0.00 -1.57 0.00 0.00 52.86 49.26 1f54 s ASN 60 Cb 0.10 0.37 0.12 0.00 -0.02 0.00 0.00 41.25 41.81 1f54 s ASN 60 CO 0.62 -0.86 1.33 -1.38 -2.57 0.00 0.00 177.10 174.23 1f54 s HIS 61 N -3.32 -0.01 -0.42 2.20 -3.43 -1.26 -4.88 115.29 104.18 1f54 s HIS 61 Ca 0.29 -0.07 -0.08 0.00 -0.80 0.00 0.00 55.06 54.39 1f54 s HIS 61 Cb 0.04 0.54 0.08 0.00 -1.43 0.00 0.00 32.58 31.81 1f54 s HIS 61 CO 0.15 -0.20 0.25 -0.65 -2.00 0.00 0.00 174.74 172.29 1f54 s GLN 62 N -2.17 2.53 0.55 -0.38 -0.21 -1.26 -3.97 119.66 114.75 1f54 s GLN 62 Ca 0.21 -1.51 -0.19 0.00 0.02 0.00 0.00 55.36 53.89 1f54 s GLN 62 Cb 0.03 -3.75 -0.05 0.00 1.00 0.00 0.00 33.01 30.24 1f54 s GLN 62 CO -0.03 -0.97 1.12 0.42 -2.12 0.00 0.00 175.29 173.71 1f54 s ILE 63 N 1.39 3.21 -0.16 1.08 1.01 0.27 -4.77 121.20 123.23 1f54 s ILE 63 Ca 0.03 0.73 -0.02 0.00 0.00 0.00 0.00 60.65 61.39 1f54 s ILE 63 Cb -0.23 -3.28 -0.02 0.00 0.01 0.00 0.00 42.46 38.95 1f54 s ILE 63 CO 0.01 -0.19 -0.08 -0.70 0.00 0.00 0.00 174.94 173.99 1f54 s GLU 64 N -3.39 3.47 0.48 2.79 -6.30 -1.26 -1.09 118.70 113.41 1f54 s GLU 64 Ca 0.72 -0.62 0.35 0.00 -2.50 0.00 0.00 54.97 52.92 1f54 s GLU 64 Cb -0.23 -2.82 1.50 0.00 0.00 0.00 0.00 34.13 32.58 1f54 s GLU 64 CO 0.28 0.11 1.64 0.35 0.02 0.00 0.00 175.26 177.67 1f54 h PHE 65 N 7.10 0.33 0.00 5.30 3.57 -1.85 -0.70 116.94 130.69 1f54 h PHE 65 Ca -0.32 0.01 0.00 0.00 3.53 0.00 0.00 57.97 61.20 1f54 h PHE 65 Cb 1.19 -0.08 0.00 0.00 2.79 0.00 0.00 35.95 39.85 1f54 h PHE 65 CO 0.53 -0.11 0.00 0.43 -2.23 0.00 0.00 178.31 176.93 1f54 n SER 66 N -4.43 0.00 -0.32 0.41 7.64 -1.26 -2.53 113.62 113.13 1f54 n SER 66 Ca 0.37 0.40 0.20 0.00 1.01 0.00 0.00 58.87 60.85 1f54 n SER 66 Cb 1.52 0.00 0.40 0.00 -1.01 0.00 0.00 64.21 65.12 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 0.15 -0.35 1.43 4.11 -1.88 0.22 114.58 118.26 1f54 h GLU 67 Ca 0.00 -0.01 0.04 0.00 0.07 0.00 0.00 59.36 59.46 1f54 h GLU 67 Cb 0.00 -0.03 -0.06 0.00 0.50 0.00 0.00 28.75 29.16 1f54 h GLU 67 CO 0.00 0.10 -0.36 0.35 0.07 0.00 0.00 179.01 179.17 1f54 h PHE 68 N 0.16 -1.12 -0.06 2.06 3.57 -1.15 0.76 116.94 121.15 1f54 h PHE 68 Ca 0.67 0.06 -0.17 0.00 3.53 0.00 0.00 57.97 62.06 1f54 h PHE 68 Cb 1.52 0.54 -0.01 0.00 2.79 0.00 0.00 35.95 40.79 1f54 h PHE 68 CO -0.19 -0.30 -0.69 -0.07 -2.23 0.00 0.00 178.31 174.83 1f54 h LEU 69 N -0.19 0.34 -2.20 0.59 4.07 -0.90 -0.88 115.31 116.14 1f54 h LEU 69 Ca 0.06 -0.22 0.06 0.00 0.08 0.00 0.00 57.88 57.86 1f54 h LEU 69 Cb 0.35 -0.10 -0.01 0.00 1.08 0.00 0.00 40.66 41.98 1f54 h LEU 69 CO -0.44 0.93 0.24 0.00 -1.08 0.00 0.00 178.44 178.10 1f54 h ALA 70 N 1.07 1.80 0.00 1.53 0.00 0.46 -1.94 119.26 122.17 1f54 h ALA 70 Ca -0.02 -0.01 -0.12 0.00 0.00 0.00 0.00 54.91 54.76 1f54 h ALA 70 Cb 1.24 0.02 -0.02 0.00 0.00 0.00 0.00 17.79 19.03 1f54 h ALA 70 CO 0.11 -0.35 -1.76 1.28 0.00 0.00 0.00 179.25 178.53 1f54 n LEU 71 N -3.70 0.00 0.22 0.00 4.32 0.16 -4.44 117.00 113.56 1f54 n LEU 71 Ca 0.02 0.00 0.08 0.00 -0.02 0.00 0.00 56.01 56.09 1f54 n LEU 71 Cb 0.37 0.16 0.53 0.00 -1.62 0.00 0.00 43.42 42.86 1f54 n LEU 71 CO 0.26 0.16 0.84 0.24 -1.22 0.00 0.00 177.39 177.68 1f54 h MET 72 N 0.00 0.00 0.00 3.23 2.86 -0.42 -2.02 114.93 118.58 1f54 h MET 72 Ca -0.18 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.46 1f54 h MET 72 Cb 1.23 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.89 1f54 h MET 72 CO 0.01 0.24 0.00 -1.13 1.06 0.00 0.00 176.91 177.09 1f54 n SER 73 N -3.79 0.00 0.08 1.22 3.41 -0.88 -0.58 113.62 113.08 1f54 n SER 73 Ca -0.02 0.28 -0.08 0.00 -0.26 0.00 0.00 58.87 58.80 1f54 n SER 73 Cb 0.34 -0.38 -0.08 0.00 -0.26 0.00 0.00 64.21 63.83 1f54 n SER 73 CO 0.00 0.00 0.00 0.03 -0.16 0.00 0.00 175.04 174.91 1f54 h ARG 74 N 0.00 0.06 0.00 4.33 3.08 -1.64 -3.41 114.38 116.80 1f54 h ARG 74 Ca 0.00 -0.09 -0.20 0.00 0.07 0.00 0.00 59.98 59.75 1f54 h ARG 74 Cb 0.15 0.03 -0.14 0.00 0.08 0.00 0.00 29.97 30.09 1f54 h ARG 74 CO 0.00 0.99 -0.30 0.00 -1.07 0.00 0.00 179.97 179.59 1f54 n GLN 75 N -3.46 1.14 -0.11 0.04 0.00 -0.96 -4.92 117.38 109.11 1f54 n GLN 75 Ca -0.02 -1.66 -0.07 0.00 0.00 0.00 0.00 57.00 55.26 1f54 n GLN 75 Cb 0.90 0.02 -0.00 0.00 0.00 0.00 0.00 30.24 31.16 1f54 n GLN 75 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.06 176.99 1f54 h LEU 76 N 1.81 -0.88 -0.92 2.61 3.38 -1.08 -3.50 115.31 116.73 1f54 h LEU 76 Ca -0.32 0.17 0.00 0.00 0.09 0.00 0.00 57.88 57.82 1f54 h LEU 76 Cb 1.29 0.43 0.00 0.00 0.09 0.00 0.00 40.66 42.48 1f54 h LEU 76 CO -0.09 -0.28 0.00 1.17 0.09 0.00 0.00 178.44 179.32