#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 7.19 0.26 -3.46 1.04 -1.26 -4.49 113.70 112.99 1f54 s SER 2 Ca 0.00 -3.32 0.00 0.00 0.48 0.00 0.00 55.95 53.11 1f54 s SER 2 Cb 0.00 -2.26 0.00 0.00 0.10 0.00 0.00 66.02 63.86 1f54 s SER 2 CO 0.00 -0.45 0.00 -3.20 0.98 0.00 0.00 173.24 170.57 1f54 n ASN 3 N 3.63 -2.36 -4.62 7.02 2.85 -1.26 -5.10 115.26 115.42 1f54 n ASN 3 Ca 0.26 0.64 -0.28 0.00 -0.11 0.00 0.00 54.58 55.09 1f54 n ASN 3 Cb 0.41 2.38 -0.11 0.00 1.24 0.00 0.00 39.78 43.70 1f54 n ASN 3 CO 0.00 0.00 0.00 -0.22 -2.11 0.00 0.00 177.26 174.93 1f54 s LEU 4 N -6.26 2.85 0.00 1.20 2.96 -1.26 -4.91 118.68 113.26 1f54 s LEU 4 Ca 0.00 -1.38 -0.02 0.00 -0.22 0.00 0.00 54.13 52.51 1f54 s LEU 4 Cb 0.00 -0.89 0.01 0.00 0.50 0.00 0.00 46.19 45.81 1f54 s LEU 4 CO 0.00 -0.47 0.24 0.41 -1.32 0.00 0.00 176.35 175.21 1f54 n THR 5 N -0.98 0.00 0.00 3.68 -1.04 -1.26 -5.02 114.28 109.67 1f54 n THR 5 Ca -0.05 -0.70 0.00 0.00 -2.04 0.00 0.00 64.05 61.25 1f54 n THR 5 Cb 0.67 0.46 0.00 0.00 -1.82 0.00 0.00 70.33 69.64 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 -0.25 0.00 -0.31 -2.82 4.71 -1.26 -1.70 120.64 119.02 1f54 n GLU 6 Ca -0.01 0.56 0.15 0.00 -0.01 0.00 0.00 57.16 57.85 1f54 n GLU 6 Cb 0.25 -1.50 0.31 0.00 -1.01 0.00 0.00 31.44 29.50 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 0.11 0.17 3.49 5.08 -2.00 -0.73 114.58 120.71 1f54 h GLU 7 Ca 0.00 -0.01 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 1f54 h GLU 7 Cb 0.00 -0.02 -0.03 0.00 0.50 0.00 0.00 28.75 29.20 1f54 h GLU 7 CO 0.00 0.07 -0.35 0.37 -1.00 0.00 0.00 179.01 178.10 1f54 h GLN 8 N 0.11 -0.55 -1.11 2.33 5.75 -1.90 -0.50 115.11 119.24 1f54 h GLN 8 Ca 0.59 0.04 0.30 0.00 -0.15 0.00 0.00 58.65 59.43 1f54 h GLN 8 Cb 1.24 0.12 -0.08 0.00 1.07 0.00 0.00 27.48 29.83 1f54 h GLN 8 CO -0.76 -0.36 0.74 0.82 -2.65 0.00 0.00 178.83 176.61 1f54 h ILE 9 N -0.57 0.45 0.42 2.39 2.04 -0.26 -1.64 117.51 120.35 1f54 h ILE 9 Ca -0.02 -0.08 -0.02 0.00 1.00 0.00 0.00 64.86 65.74 1f54 h ILE 9 Cb 0.54 0.19 -0.01 0.00 -0.74 0.00 0.00 36.82 36.80 1f54 h ILE 9 CO -0.14 0.04 -0.35 0.00 0.00 0.00 0.00 178.15 177.71 1f54 h ALA 10 N 1.55 -1.08 -0.89 1.87 0.00 -0.30 -0.35 119.26 120.07 1f54 h ALA 10 Ca 0.60 -0.15 0.22 0.00 0.00 0.00 0.00 54.91 55.59 1f54 h ALA 10 Cb 1.83 0.54 -0.05 0.00 0.00 0.00 0.00 17.79 20.11 1f54 h ALA 10 CO -0.21 -1.08 0.61 0.93 0.00 0.00 0.00 179.25 179.50 1f54 h GLU 11 N -0.74 0.23 -0.37 0.00 3.07 -0.94 0.45 114.58 116.28 1f54 h GLU 11 Ca -0.05 -0.01 -0.05 0.00 -0.50 0.00 0.00 59.36 58.74 1f54 h GLU 11 Cb 0.63 -0.05 -0.01 0.00 -0.84 0.00 0.00 28.75 28.47 1f54 h GLU 11 CO -0.00 0.15 0.04 0.74 -1.40 0.00 0.00 179.01 178.54 1f54 h PHE 12 N 0.24 0.68 0.02 4.33 -1.00 -0.88 -2.59 116.94 117.74 1f54 h PHE 12 Ca 0.45 -0.10 0.01 0.00 2.81 0.00 0.00 57.97 61.14 1f54 h PHE 12 Cb 1.38 -0.18 -0.02 0.00 3.61 0.00 0.00 35.95 40.73 1f54 h PHE 12 CO -0.00 0.70 -0.10 -0.22 -1.61 0.00 0.00 178.31 177.08 1f54 h LYS 13 N 0.46 -0.17 -0.99 1.51 3.64 0.76 0.15 116.57 121.93 1f54 h LYS 13 Ca 0.11 0.01 0.15 0.00 -1.27 0.00 0.00 60.65 59.65 1f54 h LYS 13 Cb 0.41 0.04 -0.09 0.00 -0.41 0.00 0.00 32.23 32.17 1f54 h LYS 13 CO 0.01 -0.11 0.62 0.93 -2.27 0.00 0.00 179.45 178.63 1f54 h GLU 14 N -0.18 0.85 0.01 1.90 3.07 -1.42 0.51 114.58 119.33 1f54 h GLU 14 Ca 0.03 -0.05 -0.00 0.00 -0.50 0.00 0.00 59.36 58.84 1f54 h GLU 14 Cb 0.21 -0.19 0.00 0.00 -0.84 0.00 0.00 28.75 27.93 1f54 h GLU 14 CO -0.09 0.56 -0.01 0.00 -1.40 0.00 0.00 179.01 178.08 1f54 h ALA 15 N 1.58 -0.50 -0.90 3.43 0.00 -0.94 0.67 119.26 122.61 1f54 h ALA 15 Ca 0.52 -0.00 0.18 0.00 0.00 0.00 0.00 54.91 55.61 1f54 h ALA 15 Cb 0.66 0.01 -0.17 0.00 0.00 0.00 0.00 17.79 18.29 1f54 h ALA 15 CO -0.30 -0.50 -0.22 0.35 0.00 0.00 0.00 179.25 178.59 1f54 h PHE 16 N -0.03 -0.47 0.00 0.00 3.57 -0.91 1.11 116.94 120.22 1f54 h PHE 16 Ca -0.00 0.08 -0.07 0.00 3.53 0.00 0.00 57.97 61.51 1f54 h PHE 16 Cb 0.01 0.35 -0.01 0.00 2.79 0.00 0.00 35.95 39.09 1f54 h PHE 16 CO 0.11 -0.39 -0.33 0.00 -2.23 0.00 0.00 178.31 175.48 1f54 h ALA 17 N 1.90 1.23 0.00 2.41 0.00 -0.98 -2.66 119.26 121.16 1f54 h ALA 17 Ca 0.44 -0.30 0.00 0.00 0.00 0.00 0.00 54.91 55.05 1f54 h ALA 17 Cb 0.67 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.41 1f54 h ALA 17 CO -0.93 0.41 0.25 1.25 0.00 0.00 0.00 179.25 180.23 1f54 h LEU 18 N 0.00 0.00 -2.74 0.00 6.46 0.38 0.15 115.31 119.55 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 0.04 0.00 -0.01 0.49 -0.62 0.00 0.00 178.44 178.34 1f54 n PHE 19 N -2.92 0.00 -1.98 1.25 3.01 -1.02 -4.96 117.46 110.84 1f54 n PHE 19 Ca -0.02 -0.51 -0.25 0.00 1.01 0.00 0.00 57.45 57.67 1f54 n PHE 19 Cb 0.30 -0.06 -0.05 0.00 -0.01 0.00 0.00 39.48 39.65 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 -1.21 4.94 0.34 4.37 -4.77 0.04 -4.77 116.67 115.61 1f54 s ASP 20 Ca 0.06 -0.66 0.02 0.00 -3.30 0.00 0.00 52.55 48.67 1f54 s ASP 20 Cb 0.05 -2.56 0.62 0.00 -1.09 0.00 0.00 42.92 39.94 1f54 s ASP 20 CO 0.01 -2.95 1.97 0.11 0.70 0.00 0.00 175.17 175.00 1f54 h LYS 21 N 11.36 0.88 0.00 2.11 1.79 -1.88 0.12 116.57 130.94 1f54 h LYS 21 Ca 0.09 -0.05 -0.00 0.00 -2.18 0.00 0.00 60.65 58.51 1f54 h LYS 21 Cb 1.00 -0.20 -0.00 0.00 -1.58 0.00 0.00 32.23 31.45 1f54 h LYS 21 CO 1.18 0.58 -0.02 -0.44 -1.08 0.00 0.00 179.45 179.67 1f54 h ASP 22 N 0.90 0.00 -1.57 0.86 5.19 -1.86 -3.46 116.42 116.48 1f54 h ASP 22 Ca 0.30 0.00 -0.32 0.00 -0.62 0.00 0.00 57.03 56.40 1f54 h ASP 22 Cb 0.08 0.00 -0.06 0.00 0.18 0.00 0.00 39.33 39.53 1f54 h ASP 22 CO -0.09 0.02 -0.35 0.59 -3.12 0.00 0.00 179.24 176.29 1f54 n ASN 23 N -3.14 -4.78 0.00 6.45 5.03 0.03 -4.83 115.26 114.03 1f54 n ASN 23 Ca 0.00 0.16 0.00 0.00 0.87 0.00 0.00 54.58 55.61 1f54 n ASN 23 Cb 0.28 -3.79 0.00 0.00 -1.02 0.00 0.00 39.78 35.25 1f54 n ASN 23 CO 0.00 0.00 0.00 -0.46 -1.83 0.00 0.00 177.26 174.97 1f54 n ASN 24 N -0.79 3.77 0.00 6.41 0.23 -1.26 -5.01 115.26 118.62 1f54 n ASN 24 Ca -0.17 -0.07 0.00 0.00 -0.53 0.00 0.00 54.58 53.81 1f54 n ASN 24 Cb 0.58 0.89 0.00 0.00 -2.08 0.00 0.00 39.78 39.18 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 2.02 1.30 3.05 4.83 0.00 -1.26 -5.10 105.19 110.03 1f54 n GLY 25 Ca 0.00 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.90 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 -1.59 -0.08 0.09 1.61 1.04 -1.26 -2.96 113.70 110.56 1f54 s SER 26 Ca 0.00 0.10 0.02 0.00 0.48 0.00 0.00 55.95 56.55 1f54 s SER 26 Cb 0.00 0.26 -0.04 0.00 0.10 0.00 0.00 66.02 66.34 1f54 s SER 26 CO 0.00 -0.16 -0.07 0.27 0.98 0.00 0.00 173.24 174.26 1f54 s ILE 27 N -0.45 0.70 0.49 -1.02 -4.36 -0.23 -4.05 121.20 112.28 1f54 s ILE 27 Ca -0.05 -1.81 -0.16 0.00 -0.26 0.00 0.00 60.65 58.37 1f54 s ILE 27 Cb -0.04 -1.52 -0.08 0.00 1.25 0.00 0.00 42.46 42.08 1f54 s ILE 27 CO 0.01 -0.79 0.95 -0.44 0.24 0.00 0.00 174.94 174.91 1f54 s SER 28 N -2.81 6.62 0.22 4.36 0.01 -1.26 0.16 113.70 120.99 1f54 s SER 28 Ca 0.09 1.50 -0.13 0.00 1.31 0.00 0.00 55.95 58.72 1f54 s SER 28 Cb 0.03 -2.48 0.27 0.00 0.21 0.00 0.00 66.02 64.05 1f54 s SER 28 CO -0.04 -0.55 1.62 0.77 0.41 0.00 0.00 173.24 175.45 1f54 h SER 29 N 1.01 -0.62 -0.78 2.44 4.64 -1.92 0.84 113.55 119.16 1f54 h SER 29 Ca -0.47 0.20 0.23 0.00 -0.47 0.00 0.00 61.79 61.28 1f54 h SER 29 Cb 1.18 0.42 -0.03 0.00 -0.31 0.00 0.00 62.40 63.66 1f54 h SER 29 CO 0.62 -0.22 0.62 -1.28 -0.87 0.00 0.00 176.83 175.69 1f54 h SER 30 N 0.00 0.00 0.59 4.97 0.87 -1.93 0.19 113.55 118.25 1f54 h SER 30 Ca 0.33 0.00 -0.28 0.00 -1.23 0.00 0.00 61.79 60.61 1f54 h SER 30 Cb 0.50 0.00 -0.01 0.00 -0.44 0.00 0.00 62.40 62.45 1f54 h SER 30 CO -0.69 0.00 -1.36 -0.33 -0.53 0.00 0.00 176.83 173.92 1f54 h GLU 31 N 0.00 0.21 -0.59 2.24 4.39 0.33 -3.33 114.58 117.83 1f54 h GLU 31 Ca 0.37 -0.37 0.09 0.00 0.34 0.00 0.00 59.36 59.79 1f54 h GLU 31 Cb 1.60 0.14 -0.07 0.00 -0.10 0.00 0.00 28.75 30.32 1f54 h GLU 31 CO -0.00 1.11 0.23 1.25 -1.16 0.00 0.00 179.01 180.43 1f54 h LEU 32 N 0.06 0.24 -0.97 1.33 5.85 0.29 -0.46 115.31 121.65 1f54 h LEU 32 Ca -0.17 0.07 0.17 0.00 0.84 0.00 0.00 57.88 58.79 1f54 h LEU 32 Cb 1.97 0.05 -0.10 0.00 0.37 0.00 0.00 40.66 42.94 1f54 h LEU 32 CO 0.17 0.15 0.58 0.00 -0.34 0.00 0.00 178.44 179.00 1f54 h ALA 33 N 1.40 1.56 0.20 1.25 0.00 -1.63 -0.07 119.26 121.97 1f54 h ALA 33 Ca 0.29 0.07 -0.01 0.00 0.00 0.00 0.00 54.91 55.27 1f54 h ALA 33 Cb 0.34 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.05 1f54 h ALA 33 CO -0.29 -0.02 -0.10 1.15 0.00 0.00 0.00 179.25 180.00 1f54 h THR 34 N 0.77 0.00 -1.51 0.00 2.02 -1.24 -2.69 112.91 110.26 1f54 h THR 34 Ca 0.54 -0.06 0.44 0.00 0.77 0.00 0.00 66.41 68.11 1f54 h THR 34 Cb 0.79 0.00 -0.08 0.00 -1.74 0.00 0.00 68.15 67.12 1f54 h THR 34 CO -0.36 0.00 1.06 -0.37 0.37 0.00 0.00 175.52 176.22 1f54 h VAL 35 N -0.33 0.21 0.89 3.16 -1.51 -1.20 0.12 116.25 117.59 1f54 h VAL 35 Ca -0.03 -0.01 -0.04 0.00 -1.23 0.00 0.00 66.70 65.38 1f54 h VAL 35 Cb 0.21 0.17 0.01 0.00 -2.13 0.00 0.00 31.29 29.55 1f54 h VAL 35 CO 0.05 0.01 -0.43 -0.03 -1.23 0.00 0.00 177.57 175.93 1f54 h MET 36 N 0.04 -1.16 0.00 5.19 4.05 -0.73 -2.45 114.93 119.87 1f54 h MET 36 Ca 0.76 0.08 -0.01 0.00 -0.28 0.00 0.00 59.70 60.25 1f54 h MET 36 Cb 2.86 0.26 -0.00 0.00 -0.80 0.00 0.00 31.60 33.92 1f54 h MET 36 CO -0.10 -0.77 -0.03 0.00 0.23 0.00 0.00 176.91 176.24 1f54 h ARG 37 N -1.22 0.00 -0.37 0.39 3.08 -0.70 -2.96 114.38 112.59 1f54 h ARG 37 Ca -0.12 0.00 -0.08 0.00 0.07 0.00 0.00 59.98 59.84 1f54 h ARG 37 Cb 0.92 0.00 -0.02 0.00 0.08 0.00 0.00 29.97 30.95 1f54 h ARG 37 CO 0.20 0.03 -0.11 0.77 -1.07 0.00 0.00 179.97 179.78 1f54 h SER 38 N 0.00 0.64 0.03 7.04 0.02 -0.61 -2.33 113.55 118.34 1f54 h SER 38 Ca -0.00 -0.18 -0.00 0.00 -0.84 0.00 0.00 61.79 60.77 1f54 h SER 38 Cb 0.55 -0.17 -0.00 0.00 0.14 0.00 0.00 62.40 62.92 1f54 h SER 38 CO 0.00 0.78 -0.01 -0.07 -1.14 0.00 0.00 176.83 176.39 1f54 h LEU 39 N 0.60 0.00 0.00 5.07 3.38 -1.27 -3.44 115.31 119.65 1f54 h LEU 39 Ca 0.11 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.08 1f54 h LEU 39 Cb 0.55 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.30 1f54 h LEU 39 CO 0.03 0.01 0.00 0.61 0.09 0.00 0.00 178.44 179.19 1f54 n GLY 40 N -1.31 0.87 3.34 0.83 0.00 -0.89 -5.11 105.19 102.93 1f54 n GLY 40 Ca -0.03 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.78 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 1.83 -0.40 0.99 2.34 -1.13 -5.07 118.68 117.24 1f54 s LEU 41 Ca 0.00 -1.78 0.01 0.00 0.06 0.00 0.00 54.13 52.43 1f54 s LEU 41 Cb 0.00 0.43 0.19 0.00 -0.56 0.00 0.00 46.19 46.25 1f54 s LEU 41 CO 0.00 -1.06 0.83 -0.94 -1.06 0.00 0.00 176.35 174.12 1f54 s SER 42 N -3.44 -1.02 0.00 1.48 1.04 -1.26 -4.13 113.70 106.37 1f54 s SER 42 Ca 0.37 -0.75 0.00 0.00 0.48 0.00 0.00 55.95 56.05 1f54 s SER 42 Cb 0.02 1.32 0.00 0.00 0.10 0.00 0.00 66.02 67.46 1f54 s SER 42 CO 0.26 -0.09 0.00 -0.81 0.98 0.00 0.00 173.24 173.58 1f54 n PRO 43 N 3.67 1.06 -4.31 4.02 -0.04 -1.26 -5.10 135.00 133.05 1f54 n PRO 43 Ca 0.11 0.00 -0.17 0.00 -0.04 0.00 0.00 63.50 63.40 1f54 n PRO 43 Cb 0.60 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 -1.39 1.21 0.10 3.54 1.04 -1.26 -5.01 113.70 111.92 1f54 s SER 44 Ca 0.00 -1.45 -0.22 0.00 0.48 0.00 0.00 55.95 54.76 1f54 s SER 44 Cb 0.00 0.27 -0.06 0.00 0.10 0.00 0.00 66.02 66.33 1f54 s SER 44 CO 0.00 -0.80 1.37 -0.33 0.98 0.00 0.00 173.24 174.45 1f54 h GLU 45 N 2.34 -0.16 -0.77 4.02 3.07 -1.99 -0.32 114.58 120.78 1f54 h GLU 45 Ca -0.36 0.01 0.11 0.00 -0.50 0.00 0.00 59.36 58.62 1f54 h GLU 45 Cb 1.25 0.04 -0.13 0.00 -0.84 0.00 0.00 28.75 29.07 1f54 h GLU 45 CO 0.57 -0.11 -0.41 0.00 -1.40 0.00 0.00 179.01 177.66 1f54 h ALA 46 N -0.28 -0.12 -0.87 3.43 0.00 -2.00 1.06 119.26 120.49 1f54 h ALA 46 Ca 0.07 0.18 0.21 0.00 0.00 0.00 0.00 54.91 55.37 1f54 h ALA 46 Cb 0.35 0.98 -0.06 0.00 0.00 0.00 0.00 17.79 19.06 1f54 h ALA 46 CO -0.49 -0.74 0.59 1.49 0.00 0.00 0.00 179.25 180.10 1f54 h GLU 47 N -0.11 0.29 -0.16 0.00 4.57 -1.52 -0.22 114.58 117.43 1f54 h GLU 47 Ca 0.25 -0.02 -0.14 0.00 -1.18 0.00 0.00 59.36 58.27 1f54 h GLU 47 Cb 0.56 -0.06 0.00 0.00 -0.16 0.00 0.00 28.75 29.09 1f54 h GLU 47 CO -0.82 0.19 -0.47 0.28 -1.18 0.00 0.00 179.01 177.02 1f54 h VAL 48 N 0.30 1.34 -0.92 0.32 2.07 0.25 -1.82 116.25 117.78 1f54 h VAL 48 Ca 0.45 -1.73 0.12 0.00 0.82 0.00 0.00 66.70 66.36 1f54 h VAL 48 Cb 1.27 2.00 -0.09 0.00 -1.52 0.00 0.00 31.29 32.95 1f54 h VAL 48 CO -0.13 0.53 0.54 -1.13 0.02 0.00 0.00 177.57 177.40 1f54 h ASN 49 N 0.25 0.76 -0.01 0.57 -0.73 0.58 0.17 115.58 117.17 1f54 h ASN 49 Ca -0.01 0.06 -0.10 0.00 1.87 0.00 0.00 56.30 58.11 1f54 h ASN 49 Cb 1.08 -0.08 0.01 0.00 0.27 0.00 0.00 38.32 39.60 1f54 h ASN 49 CO 0.10 0.39 -0.40 0.44 -0.37 0.00 0.00 177.43 177.59 1f54 h ASP 50 N 0.84 0.37 -0.26 1.15 3.32 -1.45 -2.35 116.42 118.04 1f54 h ASP 50 Ca 0.47 -0.75 0.05 0.00 0.02 0.00 0.00 57.03 56.82 1f54 h ASP 50 Cb 0.52 -0.11 -0.05 0.00 0.22 0.00 0.00 39.33 39.91 1f54 h ASP 50 CO -0.29 1.07 -0.04 -0.07 -1.72 0.00 0.00 179.24 178.19 1f54 h LEU 51 N -0.28 -0.18 0.58 1.55 3.38 -0.78 -1.70 115.31 117.88 1f54 h LEU 51 Ca -0.05 0.07 -0.03 0.00 0.09 0.00 0.00 57.88 57.97 1f54 h LEU 51 Cb 1.12 0.14 0.01 0.00 0.09 0.00 0.00 40.66 42.01 1f54 h LEU 51 CO 0.08 -0.06 -0.28 0.24 0.09 0.00 0.00 178.44 178.51 1f54 h MET 52 N 0.03 -0.75 -0.42 1.13 2.86 -1.06 -2.29 114.93 114.43 1f54 h MET 52 Ca 0.12 0.05 0.12 0.00 -2.06 0.00 0.00 59.70 57.94 1f54 h MET 52 Cb 0.18 0.17 -0.02 0.00 0.06 0.00 0.00 31.60 31.99 1f54 h MET 52 CO -0.24 -0.44 0.71 -0.91 1.06 0.00 0.00 176.91 177.08 1f54 h ASN 53 N -0.95 0.00 1.30 1.22 4.21 -1.25 2.33 115.58 122.44 1f54 h ASN 53 Ca -0.08 0.00 -0.11 0.00 1.21 0.00 0.00 56.30 57.32 1f54 h ASN 53 Cb 0.65 0.00 -0.02 0.00 -1.12 0.00 0.00 38.32 37.83 1f54 h ASN 53 CO 0.13 0.00 -0.50 -0.08 -1.29 0.00 0.00 177.43 175.69 1f54 h GLU 54 N 0.00 0.00 0.00 0.81 4.81 -0.72 -3.39 114.58 116.09 1f54 h GLU 54 Ca 0.20 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.43 1f54 h GLU 54 Cb 1.62 0.00 0.00 0.00 0.63 0.00 0.00 28.75 31.00 1f54 h GLU 54 CO -0.00 0.50 -0.84 1.51 -0.73 0.00 0.00 179.01 179.45 1f54 n ILE 55 N -3.31 0.00 -1.54 2.32 3.06 0.40 -5.04 119.36 115.25 1f54 n ILE 55 Ca 0.01 0.00 -0.56 0.00 -2.50 0.00 0.00 62.75 59.70 1f54 n ILE 55 Cb 0.69 -0.70 -0.07 0.00 0.54 0.00 0.00 39.64 40.10 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 -2.52 0.76 -0.11 9.51 2.03 0.69 -4.87 116.55 122.04 1f54 n ASP 56 Ca 0.00 1.14 -0.18 0.00 0.52 0.00 0.00 54.79 56.27 1f54 n ASP 56 Cb 0.42 -1.04 -0.09 0.00 -0.72 0.00 0.00 41.12 39.69 1f54 n ASP 56 CO 0.00 0.00 0.00 0.52 -1.92 0.00 0.00 177.20 175.80 1f54 n VAL 57 N 2.00 1.22 -2.83 5.18 0.31 -1.26 -4.77 118.33 118.16 1f54 n VAL 57 Ca 0.19 -0.41 -0.11 0.00 -0.01 0.00 0.00 64.34 64.00 1f54 n VAL 57 Cb 0.13 -1.43 0.06 0.00 -0.91 0.00 0.00 33.84 31.68 1f54 n VAL 57 CO 0.00 0.00 0.00 0.47 -1.32 0.00 0.00 176.83 175.98 1f54 n ASP 58 N -3.41 -0.93 0.00 4.52 8.00 -1.26 -5.03 116.55 118.44 1f54 n ASP 58 Ca -0.40 -3.14 0.00 0.00 0.71 0.00 0.00 54.79 51.96 1f54 n ASP 58 Cb 0.87 0.76 0.00 0.00 -0.02 0.00 0.00 41.12 42.73 1f54 n ASP 58 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1f54 n GLY 59 N 0.09 2.23 3.78 0.44 0.00 -1.26 -4.88 105.19 105.58 1f54 n GLY 59 Ca 0.10 -0.21 -0.24 0.00 0.00 0.00 0.00 46.02 45.67 1f54 n GLY 59 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1f54 s ASN 60 N -2.86 5.34 -0.16 1.61 2.20 -1.26 -4.93 114.94 114.88 1f54 s ASN 60 Ca 0.00 -0.27 -0.35 0.00 -0.94 0.00 0.00 52.86 51.31 1f54 s ASN 60 Cb 0.00 -1.32 0.14 0.00 -2.00 0.00 0.00 41.25 38.07 1f54 s ASN 60 CO 0.00 0.01 1.32 -1.38 -2.94 0.00 0.00 177.10 174.12 1f54 s HIS 61 N -1.98 -0.05 -0.52 1.54 -3.43 -1.26 -4.70 115.29 104.89 1f54 s HIS 61 Ca 0.31 0.01 -0.18 0.00 -0.80 0.00 0.00 55.06 54.41 1f54 s HIS 61 Cb -0.09 0.52 0.08 0.00 -1.43 0.00 0.00 32.58 31.66 1f54 s HIS 61 CO 0.23 -0.13 0.58 -0.65 -2.00 0.00 0.00 174.74 172.77 1f54 s GLN 62 N -2.23 3.06 0.60 -0.38 1.11 -1.26 -3.72 119.66 116.84 1f54 s GLN 62 Ca 0.12 -1.16 -0.17 0.00 0.01 0.00 0.00 55.36 54.16 1f54 s GLN 62 Cb 0.02 -4.16 -0.03 0.00 -1.01 0.00 0.00 33.01 27.83 1f54 s GLN 62 CO -0.04 -1.26 1.11 0.42 0.01 0.00 0.00 175.29 175.53 1f54 s ILE 63 N 2.33 3.30 -0.10 1.08 1.01 0.42 -4.76 121.20 124.47 1f54 s ILE 63 Ca 0.11 0.68 0.03 0.00 0.00 0.00 0.00 60.65 61.47 1f54 s ILE 63 Cb -0.22 -3.21 -0.01 0.00 0.01 0.00 0.00 42.46 39.03 1f54 s ILE 63 CO 0.09 -0.30 -0.19 -1.61 0.00 0.00 0.00 174.94 172.93 1f54 s GLU 64 N -3.77 3.10 0.47 2.79 2.02 -1.26 -1.07 118.70 120.98 1f54 s GLU 64 Ca 0.69 -0.80 0.34 0.00 0.02 0.00 0.00 54.97 55.22 1f54 s GLU 64 Cb -0.21 -2.42 1.48 0.00 0.10 0.00 0.00 34.13 33.08 1f54 s GLU 64 CO 0.35 0.24 1.64 0.35 0.02 0.00 0.00 175.26 177.86 1f54 h PHE 65 N 6.56 0.39 0.00 1.61 3.57 -1.93 0.10 116.94 127.24 1f54 h PHE 65 Ca -0.24 0.02 0.00 0.00 3.53 0.00 0.00 57.97 61.27 1f54 h PHE 65 Cb 1.22 -0.10 0.00 0.00 2.79 0.00 0.00 35.95 39.86 1f54 h PHE 65 CO 0.48 -0.14 0.00 0.45 -2.23 0.00 0.00 178.31 176.87 1f54 n SER 66 N -4.51 0.00 -0.46 0.41 2.88 -1.26 -2.43 113.62 108.26 1f54 n SER 66 Ca 0.37 0.33 0.38 0.00 -1.33 0.00 0.00 58.87 58.62 1f54 n SER 66 Cb 1.49 0.00 0.69 0.00 -0.75 0.00 0.00 64.21 65.64 1f54 n SER 66 CO 0.00 0.00 0.00 1.05 -1.23 0.00 0.00 175.04 174.86 1f54 h GLU 67 N 0.00 0.09 0.42 -1.46 4.11 -1.89 0.25 114.58 116.10 1f54 h GLU 67 Ca 0.00 -0.01 -0.01 0.00 0.07 0.00 0.00 59.36 59.41 1f54 h GLU 67 Cb 0.00 -0.02 -0.02 0.00 0.50 0.00 0.00 28.75 29.21 1f54 h GLU 67 CO 0.00 0.06 -0.46 0.35 0.07 0.00 0.00 179.01 179.03 1f54 h PHE 68 N 0.10 -1.29 -0.01 2.06 3.57 -0.80 -1.84 116.94 118.72 1f54 h PHE 68 Ca 0.76 0.01 -0.24 0.00 3.53 0.00 0.00 57.97 62.03 1f54 h PHE 68 Cb 2.60 0.51 0.01 0.00 2.79 0.00 0.00 35.95 41.86 1f54 h PHE 68 CO -0.00 -0.60 -0.96 -0.07 -2.23 0.00 0.00 178.31 174.44 1f54 h LEU 69 N -0.89 0.70 -1.90 0.59 4.07 -0.74 -0.73 115.31 116.41 1f54 h LEU 69 Ca -0.05 -0.55 0.12 0.00 0.08 0.00 0.00 57.88 57.48 1f54 h LEU 69 Cb 0.78 -0.21 -0.02 0.00 1.08 0.00 0.00 40.66 42.29 1f54 h LEU 69 CO -0.08 1.35 0.49 0.00 -1.08 0.00 0.00 178.44 179.12 1f54 h ALA 70 N 0.61 2.11 0.00 1.53 0.00 -0.50 -2.31 119.26 120.71 1f54 h ALA 70 Ca -0.09 -0.01 -0.27 0.00 0.00 0.00 0.00 54.91 54.53 1f54 h ALA 70 Cb 1.60 0.03 -0.05 0.00 0.00 0.00 0.00 17.79 19.37 1f54 h ALA 70 CO 0.18 -0.71 -2.04 1.28 0.00 0.00 0.00 179.25 177.96 1f54 n LEU 71 N -3.61 2.93 0.18 0.00 4.32 -0.70 -4.41 117.00 115.71 1f54 n LEU 71 Ca 0.08 -0.09 0.18 0.00 -0.02 0.00 0.00 56.01 56.16 1f54 n LEU 71 Cb 0.67 -0.63 0.72 0.00 -1.62 0.00 0.00 43.42 42.55 1f54 n LEU 71 CO 0.26 0.79 1.16 -0.03 -1.22 0.00 0.00 177.39 178.35 1f54 h MET 72 N -0.02 0.00 0.00 3.23 4.05 -0.63 0.20 114.93 121.76 1f54 h MET 72 Ca -0.41 0.00 0.00 0.00 -0.28 0.00 0.00 59.70 59.01 1f54 h MET 72 Cb 1.62 0.00 0.00 0.00 -0.80 0.00 0.00 31.60 32.42 1f54 h MET 72 CO -0.07 0.00 0.06 -1.13 0.23 0.00 0.00 176.91 176.00 1f54 n SER 73 N -3.32 0.54 -0.32 1.39 3.41 -0.91 -2.64 113.62 111.77 1f54 n SER 73 Ca 0.04 0.73 0.20 0.00 -0.26 0.00 0.00 58.87 59.59 1f54 n SER 73 Cb 0.60 -0.78 0.40 0.00 -0.26 0.00 0.00 64.21 64.17 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 0.15 -0.78 4.33 9.65 -0.90 -3.35 114.38 123.48 1f54 h ARG 74 Ca 0.00 -0.01 -0.08 0.00 -1.10 0.00 0.00 59.98 58.79 1f54 h ARG 74 Cb 0.11 -0.03 -0.17 0.00 -1.39 0.00 0.00 29.97 28.49 1f54 h ARG 74 CO 0.00 0.10 -0.38 1.14 2.80 0.00 0.00 179.97 183.63 1f54 s GLN 75 N -5.79 0.78 -0.14 0.20 -2.07 -1.08 -5.02 119.66 106.55 1f54 s GLN 75 Ca -0.11 -0.66 -0.13 0.00 -1.82 0.00 0.00 55.36 52.64 1f54 s GLN 75 Cb 0.29 -0.01 -0.25 0.00 -1.09 0.00 0.00 33.01 31.96 1f54 s GLN 75 CO 0.78 -1.00 0.38 1.25 -1.32 0.00 0.00 175.29 175.38 1f54 h LEU 76 N 5.27 0.31 0.00 2.60 6.46 -1.70 -3.52 115.31 124.73 1f54 h LEU 76 Ca 0.04 -0.82 0.00 0.00 -0.12 0.00 0.00 57.88 56.98 1f54 h LEU 76 Cb 1.14 -0.10 0.00 0.00 -0.73 0.00 0.00 40.66 40.97 1f54 h LEU 76 CO -0.00 1.71 0.00 0.29 -0.62 0.00 0.00 178.44 179.82