#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1f54 s SER 2 N 0.00 5.20 -0.12 4.04 1.04 -1.26 -5.04 113.70 117.56 1f54 s SER 2 Ca 0.00 -0.55 0.18 0.00 0.48 0.00 0.00 55.95 56.07 1f54 s SER 2 Cb 0.00 -0.92 -0.27 0.00 0.10 0.00 0.00 66.02 64.94 1f54 s SER 2 CO 0.00 -0.37 0.23 -3.20 0.98 0.00 0.00 173.24 170.88 1f54 n ASN 3 N -1.36 0.38 0.00 7.02 5.15 -1.26 -5.05 115.26 120.15 1f54 n ASN 3 Ca -0.02 0.00 0.00 0.00 -0.60 0.00 0.00 54.58 53.96 1f54 n ASN 3 Cb 0.60 1.38 0.00 0.00 -0.53 0.00 0.00 39.78 41.23 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 -2.48 0.00 0.00 1.20 7.94 -1.26 -4.94 117.00 117.46 1f54 n LEU 4 Ca -0.19 0.00 0.00 0.00 -1.11 0.00 0.00 56.01 54.71 1f54 n LEU 4 Cb 0.86 0.00 0.00 0.00 0.53 0.00 0.00 43.42 44.81 1f54 n LEU 4 CO 0.41 0.00 0.00 0.41 -1.11 0.00 0.00 177.39 177.10 1f54 n THR 5 N -0.13 0.00 0.00 1.96 -1.04 -1.26 -5.01 114.28 108.80 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 0.00 0.00 0.00 0.00 -1.82 0.00 0.00 70.33 68.51 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 -1.79 120.64 115.48 1f54 n GLU 6 Ca 0.00 0.43 0.15 0.00 -0.02 0.00 0.00 57.16 57.73 1f54 n GLU 6 Cb 0.00 -1.39 0.33 0.00 -0.02 0.00 0.00 31.44 30.36 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 0.23 0.14 3.49 4.39 -1.99 -1.50 114.58 119.33 1f54 h GLU 7 Ca 0.00 -0.01 0.00 0.00 0.34 0.00 0.00 59.36 59.69 1f54 h GLU 7 Cb 0.00 -0.05 -0.02 0.00 -0.10 0.00 0.00 28.75 28.58 1f54 h GLU 7 CO 0.00 0.15 -0.25 0.37 -1.16 0.00 0.00 179.01 178.12 1f54 h GLN 8 N 0.23 -0.39 -1.14 2.33 4.15 -1.94 -0.18 115.11 118.17 1f54 h GLN 8 Ca 0.59 0.03 0.32 0.00 0.77 0.00 0.00 58.65 60.36 1f54 h GLN 8 Cb 1.24 0.09 -0.10 0.00 0.21 0.00 0.00 27.48 28.92 1f54 h GLN 8 CO -0.65 -0.26 0.74 0.82 -1.93 0.00 0.00 178.83 177.55 1f54 h ILE 9 N -0.41 0.39 0.23 2.39 2.04 -0.49 0.58 117.51 122.25 1f54 h ILE 9 Ca -0.01 -0.09 -0.01 0.00 1.00 0.00 0.00 64.86 65.74 1f54 h ILE 9 Cb 0.38 0.10 0.00 0.00 -0.74 0.00 0.00 36.82 36.57 1f54 h ILE 9 CO -0.09 0.05 -0.11 0.00 0.00 0.00 0.00 178.15 178.00 1f54 h ALA 10 N 1.60 -0.31 -0.56 1.87 0.00 -0.41 -2.01 119.26 119.43 1f54 h ALA 10 Ca 0.66 -0.13 0.11 0.00 0.00 0.00 0.00 54.91 55.54 1f54 h ALA 10 Cb 1.89 0.12 -0.03 0.00 0.00 0.00 0.00 17.79 19.77 1f54 h ALA 10 CO -0.31 -0.58 0.38 0.93 0.00 0.00 0.00 179.25 179.67 1f54 h GLU 11 N -0.50 0.31 -0.21 0.00 4.39 0.78 -1.64 114.58 117.71 1f54 h GLU 11 Ca -0.03 -0.02 -0.05 0.00 0.34 0.00 0.00 59.36 59.60 1f54 h GLU 11 Cb 0.37 -0.07 -0.01 0.00 -0.10 0.00 0.00 28.75 28.95 1f54 h GLU 11 CO 0.05 0.20 -0.07 0.74 -1.16 0.00 0.00 179.01 178.77 1f54 h PHE 12 N 0.32 0.47 0.38 4.33 -1.00 -1.00 -2.70 116.94 117.73 1f54 h PHE 12 Ca 0.26 -0.11 -0.00 0.00 2.81 0.00 0.00 57.97 60.93 1f54 h PHE 12 Cb 0.61 -0.11 -0.03 0.00 3.61 0.00 0.00 35.95 40.03 1f54 h PHE 12 CO -0.00 0.68 -0.42 0.87 -1.61 0.00 0.00 178.31 177.83 1f54 h LYS 13 N 0.13 -0.80 -0.74 1.51 1.57 -0.57 -0.65 116.57 117.01 1f54 h LYS 13 Ca 0.05 0.05 0.17 0.00 -1.87 0.00 0.00 60.65 59.05 1f54 h LYS 13 Cb 0.54 0.18 -0.12 0.00 0.08 0.00 0.00 32.23 32.92 1f54 h LYS 13 CO 0.02 -0.53 0.12 0.93 -0.57 0.00 0.00 179.45 179.42 1f54 h GLU 14 N -0.83 0.20 0.00 3.15 5.08 -1.52 0.11 114.58 120.77 1f54 h GLU 14 Ca -0.03 -0.01 0.00 0.00 -1.00 0.00 0.00 59.36 58.32 1f54 h GLU 14 Cb 0.75 -0.04 0.00 0.00 0.50 0.00 0.00 28.75 29.95 1f54 h GLU 14 CO -0.09 0.13 0.00 0.00 -1.00 0.00 0.00 179.01 178.05 1f54 n ALA 15 N -2.75 -0.43 -0.32 3.43 0.00 -0.85 0.12 120.51 119.71 1f54 n ALA 15 Ca 0.14 0.00 0.02 0.00 0.00 0.00 0.00 53.44 53.60 1f54 n ALA 15 Cb 0.47 0.00 0.09 0.00 0.00 0.00 0.00 19.45 20.01 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 -0.64 -0.04 0.00 3.57 -0.89 0.82 116.94 119.75 1f54 h PHE 16 Ca 0.00 0.09 -0.08 0.00 3.53 0.00 0.00 57.97 61.50 1f54 h PHE 16 Cb 0.00 0.42 -0.01 0.00 2.79 0.00 0.00 35.95 39.15 1f54 h PHE 16 CO 0.20 -0.39 -0.36 0.00 -2.23 0.00 0.00 178.31 175.53 1f54 h ALA 17 N 1.71 1.33 0.00 2.41 0.00 -0.75 -2.68 119.26 121.29 1f54 h ALA 17 Ca 0.40 -0.34 0.00 0.00 0.00 0.00 0.00 54.91 54.96 1f54 h ALA 17 Cb 0.64 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.36 1f54 h ALA 17 CO -0.92 0.49 0.43 1.25 0.00 0.00 0.00 179.25 180.50 1f54 h LEU 18 N 0.07 0.00 -2.63 0.00 6.46 0.81 0.21 115.31 120.23 1f54 h LEU 18 Ca 0.01 0.00 0.00 0.00 -0.12 0.00 0.00 57.88 57.77 1f54 h LEU 18 Cb 0.67 0.00 0.00 0.00 -0.73 0.00 0.00 40.66 40.60 1f54 h LEU 18 CO 0.05 0.00 -0.02 0.49 -0.62 0.00 0.00 178.44 178.34 1f54 n PHE 19 N -2.83 0.00 -2.00 1.25 3.01 -1.02 -4.96 117.46 110.91 1f54 n PHE 19 Ca -0.02 -0.47 -0.26 0.00 1.01 0.00 0.00 57.45 57.71 1f54 n PHE 19 Cb 0.47 -0.06 -0.06 0.00 -0.01 0.00 0.00 39.48 39.82 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 -1.13 4.92 0.51 4.37 -4.77 0.73 -4.74 116.67 116.56 1f54 s ASP 20 Ca 0.05 -1.03 0.17 0.00 -3.30 0.00 0.00 52.55 48.44 1f54 s ASP 20 Cb 0.04 -2.57 1.25 0.00 -1.09 0.00 0.00 42.92 40.56 1f54 s ASP 20 CO 0.00 -3.06 2.12 0.50 0.70 0.00 0.00 175.17 175.43 1f54 h LYS 21 N 10.80 0.04 -0.02 2.11 3.64 -1.87 0.15 116.57 131.43 1f54 h LYS 21 Ca 0.13 -0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.51 1f54 h LYS 21 Cb 0.98 -0.01 0.00 0.00 -0.41 0.00 0.00 32.23 32.79 1f54 h LYS 21 CO 1.19 0.03 0.00 -0.25 -2.27 0.00 0.00 179.45 178.15 1f54 n ASP 22 N -4.51 0.30 -2.80 4.20 8.00 -1.26 -4.87 116.55 115.61 1f54 n ASP 22 Ca -0.01 -1.26 -0.07 0.00 0.71 0.00 0.00 54.79 54.16 1f54 n ASP 22 Cb 0.16 -0.01 -0.01 0.00 -0.02 0.00 0.00 41.12 41.24 1f54 n ASP 22 CO 0.00 0.00 0.00 -0.46 -0.39 0.00 0.00 177.20 176.35 1f54 n ASN 23 N -0.69 -1.11 0.00 -2.24 0.23 0.53 -4.64 115.26 107.34 1f54 n ASN 23 Ca 0.19 0.18 0.00 0.00 -0.53 0.00 0.00 54.58 54.43 1f54 n ASN 23 Cb 0.14 -1.07 0.00 0.00 -2.08 0.00 0.00 39.78 36.76 1f54 n ASN 23 CO 0.00 0.00 0.00 -0.46 -0.93 0.00 0.00 177.26 175.87 1f54 n ASN 24 N -1.62 0.18 0.00 0.53 6.94 -1.26 -4.99 115.26 115.04 1f54 n ASN 24 Ca 0.02 -0.56 0.00 0.00 -0.02 0.00 0.00 54.58 54.02 1f54 n ASN 24 Cb 0.48 0.73 0.00 0.00 -2.36 0.00 0.00 39.78 38.63 1f54 n ASN 24 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 1f54 n GLY 25 N 0.73 1.93 2.98 4.83 0.00 -1.26 -5.08 105.19 109.32 1f54 n GLY 25 Ca 0.00 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.91 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 -2.00 -0.01 0.06 1.61 1.04 -1.26 -2.89 113.70 110.25 1f54 s SER 26 Ca 0.00 -0.02 0.02 0.00 0.48 0.00 0.00 55.95 56.43 1f54 s SER 26 Cb 0.00 0.15 -0.03 0.00 0.10 0.00 0.00 66.02 66.25 1f54 s SER 26 CO 0.00 -0.13 -0.08 0.27 0.98 0.00 0.00 173.24 174.28 1f54 s ILE 27 N -0.45 0.60 0.67 -1.02 -4.36 -0.39 -4.22 121.20 112.03 1f54 s ILE 27 Ca -0.05 -1.28 -0.13 0.00 -0.26 0.00 0.00 60.65 58.93 1f54 s ILE 27 Cb -0.03 -0.87 -0.00 0.00 1.25 0.00 0.00 42.46 42.81 1f54 s ILE 27 CO 0.00 -0.48 1.07 -0.55 0.24 0.00 0.00 174.94 175.22 1f54 s SER 28 N -1.91 5.37 0.24 4.36 0.15 -1.26 0.51 113.70 121.16 1f54 s SER 28 Ca -0.05 1.76 -0.04 0.00 0.70 0.00 0.00 55.95 58.32 1f54 s SER 28 Cb -0.07 -2.52 0.47 0.00 -1.71 0.00 0.00 66.02 62.19 1f54 s SER 28 CO -0.01 -1.45 1.70 0.77 1.20 0.00 0.00 173.24 175.46 1f54 h SER 29 N -0.28 0.13 -0.14 5.45 4.64 -1.92 0.63 113.55 122.07 1f54 h SER 29 Ca -0.45 0.13 0.04 0.00 -0.47 0.00 0.00 61.79 61.04 1f54 h SER 29 Cb 1.22 0.15 -0.01 0.00 -0.31 0.00 0.00 62.40 63.45 1f54 h SER 29 CO 0.56 0.02 0.24 -1.28 -0.87 0.00 0.00 176.83 175.50 1f54 h SER 30 N 0.34 0.00 0.47 4.97 0.87 -1.94 -0.43 113.55 117.83 1f54 h SER 30 Ca 0.42 0.00 -0.30 0.00 -1.23 0.00 0.00 61.79 60.68 1f54 h SER 30 Cb 0.68 0.00 -0.03 0.00 -0.44 0.00 0.00 62.40 62.62 1f54 h SER 30 CO -0.46 0.00 -1.62 -0.33 -0.53 0.00 0.00 176.83 173.89 1f54 h GLU 31 N 0.00 0.14 -0.65 2.24 4.39 -0.08 -3.34 114.58 117.28 1f54 h GLU 31 Ca 0.06 -0.24 0.03 0.00 0.34 0.00 0.00 59.36 59.56 1f54 h GLU 31 Cb 0.54 0.09 -0.04 0.00 -0.10 0.00 0.00 28.75 29.24 1f54 h GLU 31 CO -0.00 0.90 0.43 1.25 -1.16 0.00 0.00 179.01 180.43 1f54 h LEU 32 N 0.04 0.67 -0.59 1.33 5.85 -0.36 -1.88 115.31 120.37 1f54 h LEU 32 Ca -0.27 -0.01 0.03 0.00 0.84 0.00 0.00 57.88 58.48 1f54 h LEU 32 Cb 1.99 -0.16 -0.04 0.00 0.37 0.00 0.00 40.66 42.83 1f54 h LEU 32 CO 0.12 0.46 0.35 0.00 -0.34 0.00 0.00 178.44 179.03 1f54 h ALA 33 N 1.62 0.77 0.46 1.25 0.00 -1.64 -0.73 119.26 120.99 1f54 h ALA 33 Ca 0.26 -0.01 -0.02 0.00 0.00 0.00 0.00 54.91 55.14 1f54 h ALA 33 Cb 0.07 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 17.71 1f54 h ALA 33 CO -0.07 0.07 -0.22 1.15 0.00 0.00 0.00 179.25 180.17 1f54 h THR 34 N 0.68 0.00 -1.27 0.00 2.02 -1.51 -2.70 112.91 110.13 1f54 h THR 34 Ca 0.24 -0.10 0.40 0.00 0.77 0.00 0.00 66.41 67.72 1f54 h THR 34 Cb 0.06 0.00 -0.12 0.00 -1.74 0.00 0.00 68.15 66.35 1f54 h THR 34 CO -0.12 0.00 0.83 -0.37 0.37 0.00 0.00 175.52 176.23 1f54 h VAL 35 N -0.72 0.22 0.79 3.16 -1.51 -1.42 0.20 116.25 116.98 1f54 h VAL 35 Ca -0.06 -0.05 -0.04 0.00 -1.23 0.00 0.00 66.70 65.32 1f54 h VAL 35 Cb 0.48 0.06 0.00 0.00 -2.13 0.00 0.00 31.29 29.70 1f54 h VAL 35 CO 0.10 0.03 -0.45 -0.03 -1.23 0.00 0.00 177.57 175.99 1f54 h MET 36 N 0.15 -1.11 0.00 5.19 4.05 -0.83 -2.32 114.93 120.06 1f54 h MET 36 Ca 0.76 0.08 0.00 0.00 -0.28 0.00 0.00 59.70 60.26 1f54 h MET 36 Cb 2.35 0.25 0.00 0.00 -0.80 0.00 0.00 31.60 33.40 1f54 h MET 36 CO -0.36 -0.74 0.00 -0.09 0.23 0.00 0.00 176.91 175.95 1f54 h ARG 37 N -1.15 0.00 -0.21 0.39 2.43 -0.76 -2.87 114.38 112.21 1f54 h ARG 37 Ca -0.11 0.00 -0.10 0.00 -0.81 0.00 0.00 59.98 58.96 1f54 h ARG 37 Cb 0.91 0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 30.45 1f54 h ARG 37 CO 0.13 0.00 -0.30 0.77 -1.51 0.00 0.00 179.97 179.06 1f54 h SER 38 N 0.00 0.42 0.22 -3.80 0.02 -0.26 -2.59 113.55 107.56 1f54 h SER 38 Ca 0.00 -0.15 -0.02 0.00 -0.84 0.00 0.00 61.79 60.77 1f54 h SER 38 Cb 0.47 -0.12 -0.00 0.00 0.14 0.00 0.00 62.40 62.89 1f54 h SER 38 CO 0.00 0.71 -0.11 -0.07 -1.14 0.00 0.00 176.83 176.22 1f54 h LEU 39 N 0.36 0.00 0.00 5.07 3.38 -1.19 -3.45 115.31 119.49 1f54 h LEU 39 Ca 0.05 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.02 1f54 h LEU 39 Cb 0.71 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.46 1f54 h LEU 39 CO 0.05 0.11 0.00 0.61 0.09 0.00 0.00 178.44 179.30 1f54 n GLY 40 N -0.95 0.71 3.29 0.83 0.00 -0.98 -5.11 105.19 102.98 1f54 n GLY 40 Ca -0.02 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 45.81 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 1.65 -0.40 0.99 2.34 -1.17 -5.07 118.68 117.02 1f54 s LEU 41 Ca 0.00 -1.66 0.02 0.00 0.06 0.00 0.00 54.13 52.55 1f54 s LEU 41 Cb 0.00 0.43 0.19 0.00 -0.56 0.00 0.00 46.19 46.24 1f54 s LEU 41 CO 0.00 -0.99 0.79 -0.44 -1.06 0.00 0.00 176.35 174.65 1f54 s SER 42 N -3.35 -1.13 0.00 1.48 0.01 -1.26 -4.12 113.70 105.32 1f54 s SER 42 Ca 0.38 -0.77 0.00 0.00 1.31 0.00 0.00 55.95 56.88 1f54 s SER 42 Cb 0.04 1.45 0.00 0.00 0.21 0.00 0.00 66.02 67.72 1f54 s SER 42 CO 0.22 -0.10 0.00 -0.81 0.41 0.00 0.00 173.24 172.96 1f54 n PRO 43 N 3.83 1.10 -4.34 12.44 -0.04 -1.26 -5.08 135.00 141.64 1f54 n PRO 43 Ca 0.11 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 33.95 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 -1.44 2.50 0.11 3.54 0.01 -1.26 -5.01 113.70 112.15 1f54 s SER 44 Ca 0.00 -1.04 -0.25 0.00 1.31 0.00 0.00 55.95 55.97 1f54 s SER 44 Cb 0.00 -0.12 -0.07 0.00 0.21 0.00 0.00 66.02 66.04 1f54 s SER 44 CO 0.00 -0.21 1.42 -0.08 0.41 0.00 0.00 173.24 174.78 1f54 h GLU 45 N 2.55 -0.16 -0.86 12.44 4.57 -1.99 0.32 114.58 131.45 1f54 h GLU 45 Ca -0.38 0.01 0.22 0.00 -1.18 0.00 0.00 59.36 58.03 1f54 h GLU 45 Cb 1.22 0.04 -0.15 0.00 -0.16 0.00 0.00 28.75 29.70 1f54 h GLU 45 CO 0.63 -0.10 0.15 0.00 -1.18 0.00 0.00 179.01 178.50 1f54 h ALA 46 N -0.09 1.14 -0.86 2.92 0.00 -2.00 0.72 119.26 121.09 1f54 h ALA 46 Ca 0.09 0.25 0.01 0.00 0.00 0.00 0.00 54.91 55.26 1f54 h ALA 46 Cb 0.39 0.39 -0.04 0.00 0.00 0.00 0.00 17.79 18.53 1f54 h ALA 46 CO -0.59 -0.48 0.57 1.49 0.00 0.00 0.00 179.25 180.24 1f54 h GLU 47 N 0.15 1.12 -0.28 0.00 4.57 -0.84 -2.49 114.58 116.80 1f54 h GLU 47 Ca 0.52 -0.07 -0.06 0.00 -1.18 0.00 0.00 59.36 58.58 1f54 h GLU 47 Cb 1.04 -0.25 -0.01 0.00 -0.16 0.00 0.00 28.75 29.36 1f54 h GLU 47 CO -0.70 0.74 -0.04 0.28 -1.18 0.00 0.00 179.01 178.11 1f54 h VAL 48 N 1.15 1.27 -0.34 0.32 2.07 0.20 -0.82 116.25 120.11 1f54 h VAL 48 Ca 0.32 -1.04 0.07 0.00 0.82 0.00 0.00 66.70 66.87 1f54 h VAL 48 Cb -0.12 1.38 -0.07 0.00 -1.52 0.00 0.00 31.29 30.95 1f54 h VAL 48 CO -0.07 0.33 -0.12 -1.13 0.02 0.00 0.00 177.57 176.60 1f54 h ASN 49 N 0.30 -0.43 -0.36 0.57 -1.24 -0.73 0.62 115.58 114.31 1f54 h ASN 49 Ca 0.08 0.12 -0.09 0.00 0.71 0.00 0.00 56.30 57.11 1f54 h ASN 49 Cb 0.51 0.26 -0.01 0.00 0.73 0.00 0.00 38.32 39.80 1f54 h ASN 49 CO 0.02 -0.16 -0.13 -0.78 -1.29 0.00 0.00 177.43 175.10 1f54 h ASP 50 N -0.06 0.73 -0.79 1.15 1.82 -1.44 0.11 116.42 117.94 1f54 h ASP 50 Ca 0.17 -0.38 0.08 0.00 -0.39 0.00 0.00 57.03 56.50 1f54 h ASP 50 Cb 0.31 -0.20 -0.07 0.00 0.68 0.00 0.00 39.33 40.06 1f54 h ASP 50 CO -0.38 0.95 0.45 -0.07 -1.61 0.00 0.00 179.24 178.58 1f54 h LEU 51 N 0.50 0.66 0.01 2.28 3.38 -0.44 -1.77 115.31 119.93 1f54 h LEU 51 Ca 0.09 0.04 -0.03 0.00 0.09 0.00 0.00 57.88 58.06 1f54 h LEU 51 Cb 0.65 -0.09 0.00 0.00 0.09 0.00 0.00 40.66 41.31 1f54 h LEU 51 CO 0.04 0.40 -0.13 -0.03 0.09 0.00 0.00 178.44 178.81 1f54 h MET 52 N 0.79 0.07 -0.21 1.13 4.05 -0.79 -3.21 114.93 116.76 1f54 h MET 52 Ca 0.37 -0.09 0.06 0.00 -0.28 0.00 0.00 59.70 59.76 1f54 h MET 52 Cb 0.28 0.03 -0.01 0.00 -0.80 0.00 0.00 31.60 31.10 1f54 h MET 52 CO -0.22 0.95 0.52 -0.91 0.23 0.00 0.00 176.91 177.48 1f54 h ASN 53 N -0.78 0.00 0.29 1.39 2.35 -0.59 2.35 115.58 120.59 1f54 h ASN 53 Ca -0.02 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.73 1f54 h ASN 53 Cb 1.01 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.38 1f54 h ASN 53 CO 0.03 0.00 -0.07 -0.62 -1.65 0.00 0.00 177.43 175.12 1f54 n GLU 54 N -3.13 0.80 0.00 0.81 -0.58 -0.68 -4.28 120.64 113.57 1f54 n GLU 54 Ca 0.03 -0.23 0.00 0.00 -0.42 0.00 0.00 57.16 56.54 1f54 n GLU 54 Cb 0.62 -1.50 0.00 0.00 -0.57 0.00 0.00 31.44 29.99 1f54 n GLU 54 CO 0.00 0.00 0.00 1.51 -0.48 0.00 0.00 177.13 178.16 1f54 n ILE 55 N -0.90 0.00 0.05 -3.67 3.06 0.43 -4.83 119.36 113.49 1f54 n ILE 55 Ca 0.16 0.00 0.20 0.00 -2.50 0.00 0.00 62.75 60.61 1f54 n ILE 55 Cb 0.25 -0.14 0.55 0.00 0.54 0.00 0.00 39.64 40.84 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 0.00 0.00 9.51 1.82 0.31 -3.43 116.42 124.63 1f54 h ASP 56 Ca 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 57.03 56.64 1f54 h ASP 56 Cb 0.00 0.00 0.00 0.00 0.68 0.00 0.00 39.33 40.01 1f54 h ASP 56 CO 0.00 0.00 0.00 0.52 -1.61 0.00 0.00 179.24 178.15 1f54 n VAL 57 N -3.27 0.00 0.00 2.25 0.31 -1.26 -3.49 118.33 112.88 1f54 n VAL 57 Ca 0.11 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.44 1f54 n VAL 57 Cb 0.97 0.00 0.00 0.00 -0.91 0.00 0.00 33.84 33.90 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 1.89 0.00 0.00 4.52 2.03 -1.26 -5.03 116.55 118.71 1f54 n ASP 58 Ca 0.00 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.31 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 2.91 -0.04 3.41 0.27 0.00 -1.23 -5.09 105.19 105.43 1f54 n GLY 59 Ca 0.00 -0.03 -0.30 0.00 0.00 0.00 0.00 46.02 45.69 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 -2.93 3.53 -0.03 1.61 0.01 -1.26 -4.93 114.94 110.94 1f54 s ASN 60 Ca 0.00 -0.54 -0.31 0.00 -0.71 0.00 0.00 52.86 51.30 1f54 s ASN 60 Cb 0.00 -0.44 0.12 0.00 0.41 0.00 0.00 41.25 41.33 1f54 s ASN 60 CO 0.00 0.24 1.21 -1.38 -1.51 0.00 0.00 177.10 175.65 1f54 s HIS 61 N -0.93 -0.09 -0.43 2.20 -3.43 -1.26 -5.01 115.29 106.34 1f54 s HIS 61 Ca 0.14 -0.03 -0.11 0.00 -0.80 0.00 0.00 55.06 54.25 1f54 s HIS 61 Cb -0.10 0.55 0.07 0.00 -1.43 0.00 0.00 32.58 31.67 1f54 s HIS 61 CO 0.05 -0.35 0.29 1.14 -2.00 0.00 0.00 174.74 173.87 1f54 s GLN 62 N -2.57 2.75 0.49 -0.38 -2.07 -1.26 -3.99 119.66 112.64 1f54 s GLN 62 Ca 0.12 -1.36 -0.21 0.00 -1.82 0.00 0.00 55.36 52.09 1f54 s GLN 62 Cb 0.02 -3.88 -0.07 0.00 -1.09 0.00 0.00 33.01 28.00 1f54 s GLN 62 CO -0.03 -0.93 1.15 0.42 -1.32 0.00 0.00 175.29 174.57 1f54 s ILE 63 N 1.51 3.15 -0.15 3.63 1.01 0.18 -4.75 121.20 125.79 1f54 s ILE 63 Ca 0.03 0.80 -0.03 0.00 0.00 0.00 0.00 60.65 61.45 1f54 s ILE 63 Cb -0.23 -3.37 -0.02 0.00 0.01 0.00 0.00 42.46 38.85 1f54 s ILE 63 CO 0.04 -0.08 -0.06 -1.61 0.00 0.00 0.00 174.94 173.24 1f54 s GLU 64 N -2.95 3.61 0.51 2.79 2.02 -1.26 -1.26 118.70 122.15 1f54 s GLU 64 Ca 0.67 -0.56 0.40 0.00 0.02 0.00 0.00 54.97 55.50 1f54 s GLU 64 Cb -0.26 -2.86 1.57 0.00 0.10 0.00 0.00 34.13 32.68 1f54 s GLU 64 CO 0.31 0.23 1.67 0.35 0.02 0.00 0.00 175.26 177.83 1f54 h PHE 65 N 6.73 0.17 0.00 1.61 3.57 -1.93 -0.82 116.94 126.27 1f54 h PHE 65 Ca -0.30 0.01 0.00 0.00 3.53 0.00 0.00 57.97 61.21 1f54 h PHE 65 Cb 1.20 -0.04 0.00 0.00 2.79 0.00 0.00 35.95 39.89 1f54 h PHE 65 CO 0.53 -0.05 0.00 0.43 -2.23 0.00 0.00 178.31 176.99 1f54 n SER 66 N -4.24 0.00 -0.32 0.41 7.64 -1.26 -2.52 113.62 113.33 1f54 n SER 66 Ca 0.36 0.28 0.21 0.00 1.01 0.00 0.00 58.87 60.73 1f54 n SER 66 Cb 1.58 0.00 0.41 0.00 -1.01 0.00 0.00 64.21 65.19 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 0.14 -0.67 1.43 4.11 -1.91 0.11 114.58 117.80 1f54 h GLU 67 Ca 0.00 -0.01 0.07 0.00 0.07 0.00 0.00 59.36 59.49 1f54 h GLU 67 Cb 0.00 -0.03 -0.10 0.00 0.50 0.00 0.00 28.75 29.12 1f54 h GLU 67 CO 0.00 0.10 -0.57 0.35 0.07 0.00 0.00 179.01 178.96 1f54 h PHE 68 N 0.15 -1.77 -0.02 2.06 3.57 -1.18 -0.07 116.94 119.67 1f54 h PHE 68 Ca 0.68 0.10 -0.22 0.00 3.53 0.00 0.00 57.97 62.06 1f54 h PHE 68 Cb 1.56 0.86 0.00 0.00 2.79 0.00 0.00 35.95 41.16 1f54 h PHE 68 CO -0.18 -0.43 -0.90 -0.07 -2.23 0.00 0.00 178.31 174.49 1f54 h LEU 69 N -0.22 0.55 -1.92 0.59 4.07 -0.75 -1.42 115.31 116.21 1f54 h LEU 69 Ca 0.11 -0.43 0.15 0.00 0.08 0.00 0.00 57.88 57.80 1f54 h LEU 69 Cb 0.51 -0.17 -0.02 0.00 1.08 0.00 0.00 40.66 42.06 1f54 h LEU 69 CO -0.74 1.22 0.52 0.00 -1.08 0.00 0.00 178.44 178.36 1f54 h ALA 70 N 0.75 2.30 0.00 1.53 0.00 0.41 -0.42 119.26 123.83 1f54 h ALA 70 Ca -0.07 -0.02 -0.28 0.00 0.00 0.00 0.00 54.91 54.54 1f54 h ALA 70 Cb 1.53 0.04 -0.05 0.00 0.00 0.00 0.00 17.79 19.31 1f54 h ALA 70 CO 0.16 -0.80 -2.05 1.28 0.00 0.00 0.00 179.25 177.84 1f54 n LEU 71 N -3.79 0.16 0.27 0.00 4.32 -0.16 -4.38 117.00 113.43 1f54 n LEU 71 Ca 0.10 -0.01 0.16 0.00 -0.02 0.00 0.00 56.01 56.24 1f54 n LEU 71 Cb 0.73 0.32 0.72 0.00 -1.62 0.00 0.00 43.42 43.57 1f54 n LEU 71 CO 0.29 0.40 0.98 0.24 -1.22 0.00 0.00 177.39 178.08 1f54 h MET 72 N 0.00 0.00 0.00 3.23 2.86 -0.16 -2.13 114.93 118.73 1f54 h MET 72 Ca -0.42 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.22 1f54 h MET 72 Cb 1.93 0.00 0.00 0.00 0.06 0.00 0.00 31.60 33.59 1f54 h MET 72 CO 0.02 0.07 0.00 0.45 1.06 0.00 0.00 176.91 178.50 1f54 n SER 73 N -3.24 0.00 0.11 1.22 2.88 -0.27 -3.69 113.62 110.62 1f54 n SER 73 Ca -0.00 -0.84 -0.13 0.00 -1.33 0.00 0.00 58.87 56.57 1f54 n SER 73 Cb 0.29 0.00 -0.07 0.00 -0.75 0.00 0.00 64.21 63.68 1f54 n SER 73 CO 0.00 0.00 0.00 -0.09 -1.23 0.00 0.00 175.04 173.72 1f54 h ARG 74 N 0.00 -0.18 -0.84 -1.46 2.43 -1.64 -3.41 114.38 109.27 1f54 h ARG 74 Ca 0.00 0.01 -0.14 0.00 -0.81 0.00 0.00 59.98 59.04 1f54 h ARG 74 Cb 0.00 0.04 -0.16 0.00 -0.42 0.00 0.00 29.97 29.43 1f54 h ARG 74 CO 0.00 -0.12 -0.45 0.94 -1.51 0.00 0.00 179.97 178.83 1f54 n GLN 75 N -5.17 0.51 0.13 0.20 -0.06 -1.24 -5.00 117.38 106.75 1f54 n GLN 75 Ca -0.08 -1.89 -0.00 0.00 -2.00 0.00 0.00 57.00 53.03 1f54 n GLN 75 Cb 0.10 -1.30 0.28 0.00 -4.06 0.00 0.00 30.24 25.26 1f54 n GLN 75 CO 0.00 0.00 0.00 1.25 -0.20 0.00 0.00 177.06 178.11 1f54 h LEU 76 N 4.83 0.16 -0.37 1.69 6.46 -1.81 -3.52 115.31 122.76 1f54 h LEU 76 Ca 0.04 -0.06 0.00 0.00 -0.12 0.00 0.00 57.88 57.74 1f54 h LEU 76 Cb 1.11 -0.05 0.00 0.00 -0.73 0.00 0.00 40.66 41.00 1f54 h LEU 76 CO 0.02 0.52 0.00 1.17 -0.62 0.00 0.00 178.44 179.53