#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 -6.05 0.00 -3.46 2.88 -1.26 -4.96 113.62 100.77 1f54 n SER 2 Ca 0.00 0.87 0.00 0.00 -1.33 0.00 0.00 58.87 58.41 1f54 n SER 2 Cb 0.00 -2.53 0.00 0.00 -0.75 0.00 0.00 64.21 60.93 1f54 n SER 2 CO 0.00 0.00 0.00 -3.20 -1.23 0.00 0.00 175.04 170.61 1f54 n ASN 3 N -4.04 0.00 -0.85 -3.46 5.15 -1.26 -5.15 115.26 105.65 1f54 n ASN 3 Ca 0.01 0.00 0.10 0.00 -0.60 0.00 0.00 54.58 54.09 1f54 n ASN 3 Cb 0.37 0.00 -0.03 0.00 -0.53 0.00 0.00 39.78 39.59 1f54 n ASN 3 CO 0.00 0.00 0.00 -0.11 1.40 0.00 0.00 177.26 178.55 1f54 n LEU 4 N 0.00 -0.41 -4.57 1.20 7.94 -1.26 -4.94 117.00 114.96 1f54 n LEU 4 Ca 0.00 0.91 -0.27 0.00 -1.11 0.00 0.00 56.01 55.55 1f54 n LEU 4 Cb 0.00 -2.78 -0.09 0.00 0.53 0.00 0.00 43.42 41.08 1f54 n LEU 4 CO 0.00 -1.97 -0.25 -0.89 -1.11 0.00 0.00 177.39 173.18 1f54 s THR 5 N -2.10 1.13 0.17 1.96 2.01 -1.26 -4.98 115.64 112.56 1f54 s THR 5 Ca 0.00 -2.00 -0.15 0.00 0.31 0.00 0.00 61.69 59.85 1f54 s THR 5 Cb 0.00 -2.54 0.05 0.00 0.01 0.00 0.00 72.50 70.02 1f54 s THR 5 CO 0.00 0.00 1.83 1.05 -0.69 0.00 0.00 174.62 176.81 1f54 h GLU 6 N 1.77 0.63 -0.42 4.92 4.11 -2.00 -1.24 114.58 122.35 1f54 h GLU 6 Ca -0.40 -0.04 -0.12 0.00 0.07 0.00 0.00 59.36 58.87 1f54 h GLU 6 Cb 1.27 -0.14 -0.01 0.00 0.50 0.00 0.00 28.75 30.36 1f54 h GLU 6 CO 0.69 0.42 -0.20 1.49 0.07 0.00 0.00 179.01 181.47 1f54 h GLU 7 N 0.65 0.83 0.78 1.06 4.81 -1.99 -2.44 114.58 118.28 1f54 h GLU 7 Ca 0.18 -0.33 -0.04 0.00 -0.13 0.00 0.00 59.36 59.04 1f54 h GLU 7 Cb -0.06 -0.04 0.01 0.00 0.63 0.00 0.00 28.75 29.29 1f54 h GLU 7 CO -0.05 0.96 -0.38 0.37 -0.73 0.00 0.00 179.01 179.19 1f54 h GLN 8 N 0.73 -1.01 -0.85 1.92 4.15 -1.83 -2.15 115.11 116.06 1f54 h GLN 8 Ca 0.10 0.07 0.19 0.00 0.77 0.00 0.00 58.65 59.78 1f54 h GLN 8 Cb 0.73 0.23 -0.06 0.00 0.21 0.00 0.00 27.48 28.59 1f54 h GLN 8 CO 0.06 -0.67 0.56 0.82 -1.93 0.00 0.00 178.83 177.67 1f54 h ILE 9 N -1.07 0.72 0.12 2.39 2.04 -1.25 -0.99 117.51 119.47 1f54 h ILE 9 Ca -0.11 -0.14 -0.00 0.00 1.00 0.00 0.00 64.86 65.61 1f54 h ILE 9 Cb 0.81 0.29 -0.00 0.00 -0.74 0.00 0.00 36.82 37.17 1f54 h ILE 9 CO 0.18 0.07 -0.07 0.00 0.00 0.00 0.00 178.15 178.33 1f54 h ALA 10 N 1.62 -0.18 -0.27 1.87 0.00 -0.90 -1.65 119.26 119.76 1f54 h ALA 10 Ca 0.43 -0.03 0.05 0.00 0.00 0.00 0.00 54.91 55.36 1f54 h ALA 10 Cb 1.07 0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.94 1f54 h ALA 10 CO -0.15 -0.60 0.19 0.93 0.00 0.00 0.00 179.25 179.62 1f54 h GLU 11 N -0.19 0.12 -0.30 0.00 5.08 -0.60 -1.72 114.58 116.97 1f54 h GLU 11 Ca -0.01 -0.01 -0.06 0.00 -1.00 0.00 0.00 59.36 58.29 1f54 h GLU 11 Cb 0.15 -0.03 -0.01 0.00 0.50 0.00 0.00 28.75 29.37 1f54 h GLU 11 CO 0.01 0.08 -0.03 0.74 -1.00 0.00 0.00 179.01 178.82 1f54 h PHE 12 N 0.13 0.61 0.11 4.33 -1.00 -0.88 -2.57 116.94 117.66 1f54 h PHE 12 Ca 0.12 -0.12 0.01 0.00 2.81 0.00 0.00 57.97 60.79 1f54 h PHE 12 Cb 0.33 -0.15 -0.02 0.00 3.61 0.00 0.00 35.95 39.71 1f54 h PHE 12 CO -0.00 0.71 -0.14 -0.22 -1.61 0.00 0.00 178.31 177.04 1f54 h LYS 13 N 0.33 -0.29 -0.99 1.51 3.64 -0.60 -0.07 116.57 120.11 1f54 h LYS 13 Ca 0.08 0.02 0.16 0.00 -1.27 0.00 0.00 60.65 59.64 1f54 h LYS 13 Cb 0.48 0.07 -0.09 0.00 -0.41 0.00 0.00 32.23 32.28 1f54 h LYS 13 CO 0.02 -0.19 0.62 0.93 -2.27 0.00 0.00 179.45 178.56 1f54 h GLU 14 N -0.30 0.79 0.00 1.90 4.39 -1.46 0.54 114.58 120.44 1f54 h GLU 14 Ca 0.01 -0.05 0.00 0.00 0.34 0.00 0.00 59.36 59.67 1f54 h GLU 14 Cb 0.30 -0.18 0.00 0.00 -0.10 0.00 0.00 28.75 28.77 1f54 h GLU 14 CO -0.06 0.52 0.00 0.00 -1.16 0.00 0.00 179.01 178.31 1f54 n ALA 15 N -2.36 -0.26 -0.32 3.43 0.00 -0.73 -0.34 120.51 119.93 1f54 n ALA 15 Ca 0.21 0.00 0.05 0.00 0.00 0.00 0.00 53.44 53.70 1f54 n ALA 15 Cb 0.50 0.00 0.13 0.00 0.00 0.00 0.00 19.45 20.08 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 -0.44 0.00 0.00 3.57 -0.93 0.98 116.94 120.12 1f54 h PHE 16 Ca 0.00 0.08 -0.08 0.00 3.53 0.00 0.00 57.97 61.50 1f54 h PHE 16 Cb 0.00 0.34 -0.01 0.00 2.79 0.00 0.00 35.95 39.06 1f54 h PHE 16 CO 0.12 -0.38 -0.40 0.00 -2.23 0.00 0.00 178.31 175.42 1f54 h ALA 17 N 1.89 1.32 0.00 2.41 0.00 -0.97 -2.67 119.26 121.24 1f54 h ALA 17 Ca 0.44 -0.36 0.00 0.00 0.00 0.00 0.00 54.91 54.98 1f54 h ALA 17 Cb 0.68 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.41 1f54 h ALA 17 CO -0.91 0.50 0.36 1.25 0.00 0.00 0.00 179.25 180.45 1f54 h LEU 18 N 0.00 0.00 -2.77 0.00 6.46 0.40 0.18 115.31 119.58 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 0.72 0.00 0.00 0.00 -0.73 0.00 0.00 40.66 40.65 1f54 h LEU 18 CO 0.05 0.00 -0.07 0.49 -0.62 0.00 0.00 178.44 178.30 1f54 n PHE 19 N -2.84 0.00 -2.39 1.25 3.01 -1.01 -4.95 117.46 110.53 1f54 n PHE 19 Ca -0.02 -0.71 -0.37 0.00 1.01 0.00 0.00 57.45 57.36 1f54 n PHE 19 Cb 0.41 -0.11 -0.03 0.00 -0.01 0.00 0.00 39.48 39.74 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 -2.09 6.10 0.19 4.37 -4.77 0.63 -4.78 116.67 116.31 1f54 s ASP 20 Ca 0.19 -1.58 -0.12 0.00 -3.30 0.00 0.00 52.55 47.74 1f54 s ASP 20 Cb 0.17 -2.57 0.14 0.00 -1.09 0.00 0.00 42.92 39.57 1f54 s ASP 20 CO 0.02 -1.90 1.80 0.50 0.70 0.00 0.00 175.17 176.29 1f54 h LYS 21 N 9.51 0.58 0.00 2.11 3.64 -1.87 -0.23 116.57 130.32 1f54 h LYS 21 Ca 0.25 -0.03 0.00 0.00 -1.27 0.00 0.00 60.65 59.59 1f54 h LYS 21 Cb 0.96 -0.13 0.00 0.00 -0.41 0.00 0.00 32.23 32.65 1f54 h LYS 21 CO 1.36 0.38 0.00 -0.44 -2.27 0.00 0.00 179.45 178.49 1f54 h ASP 22 N 0.60 0.00 -2.65 4.20 3.32 -1.87 -3.46 116.42 116.56 1f54 h ASP 22 Ca 0.23 0.00 -0.41 0.00 0.02 0.00 0.00 57.03 56.87 1f54 h ASP 22 Cb 0.09 0.00 -0.05 0.00 0.22 0.00 0.00 39.33 39.59 1f54 h ASP 22 CO -0.13 0.00 -0.49 -3.20 -1.72 0.00 0.00 179.24 173.69 1f54 n ASN 23 N -2.70 -5.71 -0.37 6.45 2.85 -0.10 -4.83 115.26 110.86 1f54 n ASN 23 Ca 0.01 0.10 0.04 0.00 -0.11 0.00 0.00 54.58 54.62 1f54 n ASN 23 Cb 0.25 -4.81 0.08 0.00 1.24 0.00 0.00 39.78 36.54 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 -1.86 2.25 0.00 1.20 0.23 -1.26 -4.94 115.26 110.87 1f54 n ASN 24 Ca -0.23 -1.75 0.00 0.00 -0.53 0.00 0.00 54.58 52.06 1f54 n ASN 24 Cb 0.68 -0.10 0.00 0.00 -2.08 0.00 0.00 39.78 38.28 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 0.25 0.82 2.94 4.83 0.00 -1.26 -5.05 105.19 107.72 1f54 n GLY 25 Ca 0.06 -0.26 -0.18 0.00 0.00 0.00 0.00 46.02 45.64 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 -2.24 0.80 0.22 1.61 1.04 -1.26 -1.98 113.70 111.89 1f54 s SER 26 Ca 0.00 -0.12 0.09 0.00 0.48 0.00 0.00 55.95 56.40 1f54 s SER 26 Cb 0.00 -0.23 -0.05 0.00 0.10 0.00 0.00 66.02 65.84 1f54 s SER 26 CO 0.00 0.02 -0.16 0.27 0.98 0.00 0.00 173.24 174.35 1f54 s ILE 27 N 0.31 1.88 0.45 -1.02 -4.36 -0.68 -4.49 121.20 113.30 1f54 s ILE 27 Ca -0.04 -2.24 -0.20 0.00 -0.26 0.00 0.00 60.65 57.91 1f54 s ILE 27 Cb -0.08 -2.08 -0.10 0.00 1.25 0.00 0.00 42.46 41.45 1f54 s ILE 27 CO -0.00 -0.55 0.97 -0.44 0.24 0.00 0.00 174.94 175.16 1f54 s SER 28 N -3.33 6.81 0.20 4.36 0.01 -1.26 0.13 113.70 120.62 1f54 s SER 28 Ca 0.24 1.69 -0.21 0.00 1.31 0.00 0.00 55.95 58.98 1f54 s SER 28 Cb -0.02 -2.54 0.14 0.00 0.21 0.00 0.00 66.02 63.82 1f54 s SER 28 CO 0.08 -0.45 1.57 0.77 0.41 0.00 0.00 173.24 175.62 1f54 h SER 29 N 1.67 -1.36 -1.27 2.44 4.64 -1.82 1.02 113.55 118.87 1f54 h SER 29 Ca -0.49 0.26 0.37 0.00 -0.47 0.00 0.00 61.79 61.47 1f54 h SER 29 Cb 1.19 0.67 -0.08 0.00 -0.31 0.00 0.00 62.40 63.87 1f54 h SER 29 CO 0.61 -0.30 0.87 -1.28 -0.87 0.00 0.00 176.83 175.86 1f54 h SER 30 N -0.11 0.17 0.33 4.97 0.87 -1.92 0.61 113.55 118.47 1f54 h SER 30 Ca 0.26 0.05 -0.24 0.00 -1.23 0.00 0.00 61.79 60.63 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 -0.80 -0.01 -1.02 -0.33 -0.53 0.00 0.00 176.83 174.13 1f54 h GLU 31 N 0.13 0.43 -0.74 2.24 5.08 0.71 -3.22 114.58 119.21 1f54 h GLU 31 Ca 0.67 -0.51 0.07 0.00 -1.00 0.00 0.00 59.36 58.59 1f54 h GLU 31 Cb 2.30 0.15 -0.05 0.00 0.50 0.00 0.00 28.75 31.66 1f54 h GLU 31 CO -0.17 1.17 0.48 1.25 -1.00 0.00 0.00 179.01 180.74 1f54 h LEU 32 N 0.22 0.67 -0.53 1.33 5.85 0.98 -1.63 115.31 122.20 1f54 h LEU 32 Ca -0.10 0.01 0.04 0.00 0.84 0.00 0.00 57.88 58.66 1f54 h LEU 32 Cb 1.68 -0.14 -0.04 0.00 0.37 0.00 0.00 40.66 42.53 1f54 h LEU 32 CO 0.18 0.43 0.30 0.00 -0.34 0.00 0.00 178.44 179.00 1f54 h ALA 33 N 1.60 0.69 0.45 1.25 0.00 -1.49 -0.44 119.26 121.32 1f54 h ALA 33 Ca 0.32 0.00 -0.02 0.00 0.00 0.00 0.00 54.91 55.21 1f54 h ALA 33 Cb 0.29 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 17.96 1f54 h ALA 33 CO -0.11 -0.02 -0.22 1.15 0.00 0.00 0.00 179.25 180.05 1f54 h THR 34 N 0.58 0.00 -1.31 0.00 2.02 -1.42 -2.64 112.91 110.14 1f54 h THR 34 Ca 0.23 -0.08 0.41 0.00 0.77 0.00 0.00 66.41 67.73 1f54 h THR 34 Cb 0.08 0.00 -0.11 0.00 -1.74 0.00 0.00 68.15 66.38 1f54 h THR 34 CO -0.13 0.00 0.87 -0.37 0.37 0.00 0.00 175.52 176.26 1f54 h VAL 35 N -0.69 0.22 0.78 3.16 -1.51 -1.41 0.21 116.25 117.01 1f54 h VAL 35 Ca -0.06 -0.04 -0.04 0.00 -1.23 0.00 0.00 66.70 65.33 1f54 h VAL 35 Cb 0.47 0.08 0.00 0.00 -2.13 0.00 0.00 31.29 29.71 1f54 h VAL 35 CO 0.10 0.02 -0.43 -0.03 -1.23 0.00 0.00 177.57 176.01 1f54 h MET 36 N 0.13 -1.07 0.00 5.19 4.05 -0.73 -2.31 114.93 120.19 1f54 h MET 36 Ca 0.76 0.07 0.00 0.00 -0.28 0.00 0.00 59.70 60.25 1f54 h MET 36 Cb 2.44 0.24 0.00 0.00 -0.80 0.00 0.00 31.60 33.49 1f54 h MET 36 CO -0.32 -0.71 0.00 -0.09 0.23 0.00 0.00 176.91 176.02 1f54 h ARG 37 N -1.11 0.00 -0.16 0.39 2.43 -0.75 -2.91 114.38 112.26 1f54 h ARG 37 Ca -0.11 0.00 -0.11 0.00 -0.81 0.00 0.00 59.98 58.96 1f54 h ARG 37 Cb 0.87 0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 30.41 1f54 h ARG 37 CO 0.14 0.00 -0.37 0.77 -1.51 0.00 0.00 179.97 179.00 1f54 h SER 38 N 0.00 0.36 0.18 -3.80 0.02 -0.26 -2.68 113.55 107.37 1f54 h SER 38 Ca 0.00 -0.15 -0.02 0.00 -0.84 0.00 0.00 61.79 60.78 1f54 h SER 38 Cb 0.48 -0.10 -0.00 0.00 0.14 0.00 0.00 62.40 62.91 1f54 h SER 38 CO 0.00 0.71 -0.11 -0.07 -1.14 0.00 0.00 176.83 176.21 1f54 h LEU 39 N 0.30 0.00 0.00 5.07 3.38 -1.21 -3.45 115.31 119.40 1f54 h LEU 39 Ca 0.03 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.00 1f54 h LEU 39 Cb 0.79 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.54 1f54 h LEU 39 CO 0.06 0.11 0.00 0.61 0.09 0.00 0.00 178.44 179.32 1f54 n GLY 40 N -1.04 0.69 3.35 0.83 0.00 -1.02 -5.12 105.19 102.88 1f54 n GLY 40 Ca -0.02 0.00 -0.20 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 1.74 -0.40 0.99 2.34 -1.19 -5.07 118.68 117.09 1f54 s LEU 41 Ca 0.00 -1.64 0.02 0.00 0.06 0.00 0.00 54.13 52.56 1f54 s LEU 41 Cb 0.00 0.26 0.19 0.00 -0.56 0.00 0.00 46.19 46.08 1f54 s LEU 41 CO 0.00 -0.95 0.81 -0.94 -1.06 0.00 0.00 176.35 174.20 1f54 s SER 42 N -3.41 -1.06 0.00 1.48 1.04 -1.26 -4.23 113.70 106.26 1f54 s SER 42 Ca 0.35 -0.71 0.00 0.00 0.48 0.00 0.00 55.95 56.07 1f54 s SER 42 Cb 0.04 1.37 0.00 0.00 0.10 0.00 0.00 66.02 67.52 1f54 s SER 42 CO 0.20 -0.10 0.00 -0.81 0.98 0.00 0.00 173.24 173.51 1f54 n PRO 43 N 3.83 1.09 -4.33 4.02 -0.04 -1.26 -5.10 135.00 133.21 1f54 n PRO 43 Ca 0.10 0.00 -0.18 0.00 -0.04 0.00 0.00 63.50 63.39 1f54 n PRO 43 Cb 0.59 0.00 -0.10 0.00 -0.04 0.00 0.00 33.50 33.96 1f54 n PRO 43 CO 0.00 0.00 0.00 -1.54 -0.04 0.00 0.00 175.50 173.92 1f54 s SER 44 N -1.44 1.37 0.09 3.54 1.04 -1.26 -5.01 113.70 112.03 1f54 s SER 44 Ca 0.00 -1.49 -0.22 0.00 0.48 0.00 0.00 55.95 54.72 1f54 s SER 44 Cb 0.00 0.31 -0.07 0.00 0.10 0.00 0.00 66.02 66.37 1f54 s SER 44 CO 0.00 -0.83 1.37 -0.33 0.98 0.00 0.00 173.24 174.43 1f54 h GLU 45 N 2.28 -0.19 -0.74 4.02 5.08 -1.99 0.07 114.58 123.12 1f54 h GLU 45 Ca -0.35 0.01 0.11 0.00 -1.00 0.00 0.00 59.36 58.13 1f54 h GLU 45 Cb 1.25 0.04 -0.12 0.00 0.50 0.00 0.00 28.75 30.42 1f54 h GLU 45 CO 0.55 -0.13 -0.43 0.00 -1.00 0.00 0.00 179.01 178.01 1f54 h ALA 46 N -0.31 -0.19 -0.88 3.43 0.00 -2.00 0.93 119.26 120.25 1f54 h ALA 46 Ca 0.07 0.16 0.19 0.00 0.00 0.00 0.00 54.91 55.33 1f54 h ALA 46 Cb 0.37 1.00 -0.06 0.00 0.00 0.00 0.00 17.79 19.09 1f54 h ALA 46 CO -0.47 -0.77 0.58 1.49 0.00 0.00 0.00 179.25 180.08 1f54 h GLU 47 N -0.13 0.42 0.04 0.00 4.57 -1.57 -1.66 114.58 116.25 1f54 h GLU 47 Ca 0.23 -0.03 -0.00 0.00 -1.18 0.00 0.00 59.36 58.38 1f54 h GLU 47 Cb 0.55 -0.09 0.00 0.00 -0.16 0.00 0.00 28.75 29.05 1f54 h GLU 47 CO -0.79 0.28 -0.02 0.28 -1.18 0.00 0.00 179.01 177.57 1f54 h VAL 48 N 0.43 1.29 -0.76 0.32 2.07 0.26 -0.75 116.25 119.12 1f54 h VAL 48 Ca 0.45 -1.17 0.16 0.00 0.82 0.00 0.00 66.70 66.97 1f54 h VAL 48 Cb 1.09 2.05 -0.14 0.00 -1.52 0.00 0.00 31.29 32.77 1f54 h VAL 48 CO -0.17 0.29 -0.14 -1.13 0.02 0.00 0.00 177.57 176.44 1f54 h ASN 49 N -0.58 -0.62 0.70 0.57 -1.24 -0.03 0.41 115.58 114.79 1f54 h ASN 49 Ca -0.01 0.22 -0.15 0.00 0.71 0.00 0.00 56.30 57.08 1f54 h ASN 49 Cb 0.52 0.44 -0.02 0.00 0.73 0.00 0.00 38.32 39.99 1f54 h ASN 49 CO 0.01 -0.24 -0.71 0.44 -1.29 0.00 0.00 177.43 175.64 1f54 h ASP 50 N 0.02 0.01 -0.02 1.15 5.19 -1.50 -2.70 116.42 118.57 1f54 h ASP 50 Ca 0.38 -0.01 0.03 0.00 -0.62 0.00 0.00 57.03 56.81 1f54 h ASP 50 Cb 0.61 -0.00 -0.04 0.00 0.18 0.00 0.00 39.33 40.08 1f54 h ASP 50 CO -0.76 0.72 -0.19 0.25 -3.12 0.00 0.00 179.24 176.13 1f54 h LEU 51 N 0.01 -0.57 -0.18 1.55 7.12 0.14 -0.74 115.31 122.63 1f54 h LEU 51 Ca -0.01 0.08 -0.10 0.00 0.13 0.00 0.00 57.88 57.99 1f54 h LEU 51 Cb 1.26 0.24 -0.00 0.00 -0.53 0.00 0.00 40.66 41.63 1f54 h LEU 51 CO 0.09 -0.25 -0.27 0.24 -0.13 0.00 0.00 178.44 178.12 1f54 h MET 52 N -0.30 0.50 0.00 1.25 2.86 -1.42 -2.79 114.93 115.04 1f54 h MET 52 Ca 0.06 -0.30 0.00 0.00 -2.06 0.00 0.00 59.70 57.41 1f54 h MET 52 Cb 0.38 0.03 0.00 0.00 0.06 0.00 0.00 31.60 32.07 1f54 h MET 52 CO -0.20 0.90 0.11 -0.91 1.06 0.00 0.00 176.91 177.87 1f54 h ASN 53 N 0.15 0.00 0.24 1.22 4.21 -1.24 2.19 115.58 122.36 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 0.85 0.00 0.00 0.00 -1.12 0.00 0.00 38.32 38.05 1f54 h ASN 53 CO 0.06 0.00 -0.25 1.21 -1.29 0.00 0.00 177.43 177.16 1f54 n GLU 54 N -2.38 0.84 0.00 0.81 2.13 -0.30 -4.66 120.64 117.07 1f54 n GLU 54 Ca -0.02 -0.49 0.00 0.00 0.66 0.00 0.00 57.16 57.31 1f54 n GLU 54 Cb 0.15 -1.49 0.00 0.00 0.27 0.00 0.00 31.44 30.37 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 -0.65 0.00 -1.64 6.31 3.06 0.13 -5.09 119.36 121.48 1f54 n ILE 55 Ca 0.12 0.00 -0.47 0.00 -2.50 0.00 0.00 62.75 59.90 1f54 n ILE 55 Cb 0.35 -0.15 -0.04 0.00 0.54 0.00 0.00 39.64 40.34 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 -2.19 2.46 -0.07 9.51 2.03 0.70 -4.86 116.55 124.13 1f54 n ASP 56 Ca 0.00 1.11 0.03 0.00 0.52 0.00 0.00 54.79 56.45 1f54 n ASP 56 Cb 0.00 -1.34 0.04 0.00 -0.72 0.00 0.00 41.12 39.09 1f54 n ASP 56 CO 0.00 0.00 0.00 0.55 -1.92 0.00 0.00 177.20 175.83 1f54 n VAL 57 N 2.63 0.95 0.10 5.18 3.14 -1.26 -4.64 118.33 124.44 1f54 n VAL 57 Ca 0.16 -1.05 0.00 0.00 -2.96 0.00 0.00 64.34 60.49 1f54 n VAL 57 Cb 0.26 0.40 0.00 0.00 -1.06 0.00 0.00 33.84 33.44 1f54 n VAL 57 CO 0.00 0.00 0.00 -0.67 -6.46 0.00 0.00 176.83 169.70 1f54 n ASP 58 N -0.60 -1.77 0.00 6.55 -0.08 -1.26 -5.10 116.55 114.29 1f54 n ASP 58 Ca 0.04 0.47 0.00 0.00 -1.51 0.00 0.00 54.79 53.79 1f54 n ASP 58 Cb 0.44 1.87 0.00 0.00 2.34 0.00 0.00 41.12 45.77 1f54 n ASP 58 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 1f54 n GLY 59 N -1.41 -1.82 2.76 0.27 0.00 -1.26 -5.00 105.19 98.73 1f54 n GLY 59 Ca 0.00 0.62 -0.36 0.00 0.00 0.00 0.00 46.02 46.29 1f54 n GLY 59 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 1f54 n ASN 60 N 0.00 6.11 -4.86 1.61 6.94 -1.26 -4.66 115.26 119.14 1f54 n ASN 60 Ca 0.00 -3.64 -0.31 0.00 -0.02 0.00 0.00 54.58 50.61 1f54 n ASN 60 Cb 0.00 -0.95 0.02 0.00 -2.36 0.00 0.00 39.78 36.49 1f54 n ASN 60 CO 0.00 0.00 0.00 -1.38 -1.03 0.00 0.00 177.26 174.85 1f54 s HIS 61 N -3.77 3.49 -0.57 -2.53 -3.43 -1.26 -4.89 115.29 102.33 1f54 s HIS 61 Ca 0.41 1.29 -0.21 0.00 -0.80 0.00 0.00 55.06 55.75 1f54 s HIS 61 Cb 0.20 -2.79 0.07 0.00 -1.43 0.00 0.00 32.58 28.63 1f54 s HIS 61 CO -0.10 -0.86 0.79 1.14 -2.00 0.00 0.00 174.74 173.72 1f54 s GLN 62 N -5.17 3.14 0.81 -0.38 -2.07 -1.26 -3.46 119.66 111.27 1f54 s GLN 62 Ca 0.56 -0.84 -0.11 0.00 -1.82 0.00 0.00 55.36 53.15 1f54 s GLN 62 Cb -0.12 -4.16 0.08 0.00 -1.09 0.00 0.00 33.01 27.72 1f54 s GLN 62 CO 0.54 -1.50 1.09 0.42 -1.32 0.00 0.00 175.29 174.52 1f54 s ILE 63 N 3.28 3.14 -0.11 3.63 1.01 0.34 -4.77 121.20 127.73 1f54 s ILE 63 Ca 0.19 0.37 0.02 0.00 0.00 0.00 0.00 60.65 61.23 1f54 s ILE 63 Cb -0.18 -2.87 0.01 0.00 0.01 0.00 0.00 42.46 39.43 1f54 s ILE 63 CO 0.12 -0.49 -0.16 -1.61 0.00 0.00 0.00 174.94 172.80 1f54 s GLU 64 N -4.92 2.28 0.41 2.79 2.02 -1.26 -1.69 118.70 118.32 1f54 s GLU 64 Ca 0.62 -0.59 0.26 0.00 0.02 0.00 0.00 54.97 55.27 1f54 s GLU 64 Cb -0.17 -1.90 1.34 0.00 0.10 0.00 0.00 34.13 33.49 1f54 s GLU 64 CO 0.56 -0.03 1.64 0.35 0.02 0.00 0.00 175.26 177.80 1f54 h PHE 65 N 7.31 0.64 0.00 1.61 3.57 -1.80 0.18 116.94 128.45 1f54 h PHE 65 Ca -0.30 0.03 0.00 0.00 3.53 0.00 0.00 57.97 61.23 1f54 h PHE 65 Cb 1.18 -0.16 0.00 0.00 2.79 0.00 0.00 35.95 39.76 1f54 h PHE 65 CO 0.48 -0.21 0.00 0.43 -2.23 0.00 0.00 178.31 176.77 1f54 n SER 66 N -4.82 0.00 -0.30 0.41 7.64 -1.26 -2.22 113.62 113.07 1f54 n SER 66 Ca 0.36 0.68 0.09 0.00 1.01 0.00 0.00 58.87 61.00 1f54 n SER 66 Cb 1.30 -0.18 0.25 0.00 -1.01 0.00 0.00 64.21 64.57 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 0.53 -0.58 1.43 4.11 -1.84 0.10 114.58 118.33 1f54 h GLU 67 Ca 0.00 -0.03 0.06 0.00 0.07 0.00 0.00 59.36 59.46 1f54 h GLU 67 Cb 0.00 -0.12 -0.08 0.00 0.50 0.00 0.00 28.75 29.05 1f54 h GLU 67 CO 0.00 0.35 -0.48 0.35 0.07 0.00 0.00 179.01 179.30 1f54 h PHE 68 N 0.55 -1.52 -0.10 2.06 3.57 -0.64 0.49 116.94 121.35 1f54 h PHE 68 Ca 0.49 0.09 -0.10 0.00 3.53 0.00 0.00 57.97 61.98 1f54 h PHE 68 Cb 0.79 0.74 0.00 0.00 2.79 0.00 0.00 35.95 40.27 1f54 h PHE 68 CO -0.11 -0.36 -0.33 -0.07 -2.23 0.00 0.00 178.31 175.21 1f54 h LEU 69 N -0.17 0.46 -1.47 0.59 4.07 -0.93 -0.39 115.31 117.47 1f54 h LEU 69 Ca 0.10 -0.61 0.19 0.00 0.08 0.00 0.00 57.88 57.63 1f54 h LEU 69 Cb 0.43 -0.14 -0.03 0.00 1.08 0.00 0.00 40.66 42.00 1f54 h LEU 69 CO -0.64 0.99 0.82 0.00 -1.08 0.00 0.00 178.44 178.53 1f54 h ALA 70 N 0.48 2.45 0.00 1.53 0.00 -0.14 -1.61 119.26 121.97 1f54 h ALA 70 Ca -0.01 -0.02 -0.39 0.00 0.00 0.00 0.00 54.91 54.49 1f54 h ALA 70 Cb 0.96 0.05 -0.06 0.00 0.00 0.00 0.00 17.79 18.73 1f54 h ALA 70 CO 0.07 -1.15 -2.34 1.28 0.00 0.00 0.00 179.25 177.11 1f54 n LEU 71 N -3.38 2.04 -0.32 0.00 4.77 0.10 -4.37 117.00 115.84 1f54 n LEU 71 Ca 0.14 0.19 0.35 0.00 -0.03 0.00 0.00 56.01 56.65 1f54 n LEU 71 Cb 1.04 -0.73 0.65 0.00 -2.33 0.00 0.00 43.42 42.04 1f54 n LEU 71 CO 0.23 0.60 1.32 -0.03 -1.33 0.00 0.00 177.39 178.19 1f54 h MET 72 N -0.64 0.00 0.00 3.23 4.05 -0.11 0.94 114.93 122.40 1f54 h MET 72 Ca -0.59 0.00 0.00 0.00 -0.28 0.00 0.00 59.70 58.83 1f54 h MET 72 Cb 1.60 0.00 0.00 0.00 -0.80 0.00 0.00 31.60 32.40 1f54 h MET 72 CO -0.30 0.00 0.11 0.66 0.23 0.00 0.00 176.91 177.61 1f54 h SER 73 N 0.00 0.00 -0.12 1.39 4.64 -1.64 -1.27 113.55 116.55 1f54 h SER 73 Ca 0.58 0.00 -0.19 0.00 -0.47 0.00 0.00 61.79 61.71 1f54 h SER 73 Cb 2.75 0.00 0.01 0.00 -0.31 0.00 0.00 62.40 64.85 1f54 h SER 73 CO -0.01 0.00 -0.65 0.03 -0.87 0.00 0.00 176.83 175.34 1f54 h ARG 74 N 0.00 0.66 -1.99 4.77 2.47 0.63 -3.31 114.38 117.60 1f54 h ARG 74 Ca 0.00 -0.54 -0.72 0.00 -1.26 0.00 0.00 59.98 57.46 1f54 h ARG 74 Cb 0.22 0.11 -0.32 0.00 -1.65 0.00 0.00 29.97 28.33 1f54 h ARG 74 CO 0.00 1.16 0.44 1.04 0.56 0.00 0.00 179.97 183.17 1f54 n GLN 75 N -4.09 3.59 0.00 0.04 6.02 -0.48 -4.55 117.38 117.92 1f54 n GLN 75 Ca -0.08 -4.18 0.00 0.00 -0.01 0.00 0.00 57.00 52.73 1f54 n GLN 75 Cb 0.68 -2.31 0.00 0.00 1.02 0.00 0.00 30.24 29.63 1f54 n GLN 75 CO 0.00 0.00 0.00 -0.11 -1.01 0.00 0.00 177.06 175.94 1f54 n LEU 76 N -0.38 0.00 0.00 1.08 0.00 -1.22 -5.06 117.00 111.42 1f54 n LEU 76 Ca 0.46 0.00 0.00 0.00 0.00 0.00 0.00 56.01 56.47 1f54 n LEU 76 Cb 0.35 0.01 0.00 0.00 0.00 0.00 0.00 43.42 43.78 1f54 n LEU 76 CO 0.45 -0.31 0.00 2.29 0.00 0.00 0.00 177.39 179.82