#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 0.04 0.00 -3.46 3.41 -1.26 -4.90 113.62 107.46 1f54 n SER 2 Ca 0.00 0.54 0.12 0.00 -0.26 0.00 0.00 58.87 59.27 1f54 n SER 2 Cb 0.00 -1.40 0.23 0.00 -0.26 0.00 0.00 64.21 62.78 1f54 n SER 2 CO 0.00 0.00 0.00 0.59 -0.16 0.00 0.00 175.04 175.47 1f54 n ASN 3 N -2.40 0.52 -4.45 4.04 3.02 -1.26 -4.92 115.26 109.80 1f54 n ASN 3 Ca 0.12 -0.25 -0.28 0.00 -0.03 0.00 0.00 54.58 54.14 1f54 n ASN 3 Cb 0.51 0.27 0.27 0.00 -0.61 0.00 0.00 39.78 40.22 1f54 n ASN 3 CO 0.00 0.00 0.00 -0.11 -2.62 0.00 0.00 177.26 174.53 1f54 n LEU 4 N -1.54 -1.81 0.00 3.41 7.94 -1.26 -5.03 117.00 118.71 1f54 n LEU 4 Ca 0.05 -0.21 0.00 0.00 -1.11 0.00 0.00 56.01 54.74 1f54 n LEU 4 Cb 0.34 -1.24 0.00 0.00 0.53 0.00 0.00 43.42 43.05 1f54 n LEU 4 CO 0.35 -3.38 0.00 0.41 -1.11 0.00 0.00 177.39 173.67 1f54 n THR 5 N -5.05 0.00 0.00 1.96 -1.04 -1.26 -5.00 114.28 103.88 1f54 n THR 5 Ca 0.02 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.03 1f54 n THR 5 Cb 0.54 0.00 0.00 0.00 -1.82 0.00 0.00 70.33 69.05 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 -2.24 120.64 115.03 1f54 n GLU 6 Ca 0.00 0.47 0.15 0.00 -0.02 0.00 0.00 57.16 57.77 1f54 n GLU 6 Cb 0.00 -1.41 0.32 0.00 -0.02 0.00 0.00 31.44 30.33 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 0.15 0.00 3.49 4.39 -1.99 -0.25 114.58 120.37 1f54 h GLU 7 Ca 0.00 -0.01 0.02 0.00 0.34 0.00 0.00 59.36 59.71 1f54 h GLU 7 Cb 0.00 -0.03 -0.06 0.00 -0.10 0.00 0.00 28.75 28.56 1f54 h GLU 7 CO 0.00 0.10 -0.51 0.37 -1.16 0.00 0.00 179.01 177.81 1f54 h GLN 8 N 0.16 -0.63 -0.96 2.33 5.75 -1.93 -0.13 115.11 119.69 1f54 h GLN 8 Ca 0.59 0.04 0.16 0.00 -0.15 0.00 0.00 58.65 59.29 1f54 h GLN 8 Cb 1.25 0.14 -0.08 0.00 1.07 0.00 0.00 27.48 29.86 1f54 h GLN 8 CO -0.71 -0.42 0.61 0.82 -2.65 0.00 0.00 178.83 176.47 1f54 h ILE 9 N -0.66 0.81 0.49 2.39 2.04 -0.60 -2.11 117.51 119.87 1f54 h ILE 9 Ca 0.02 -0.27 -0.01 0.00 1.00 0.00 0.00 64.86 65.60 1f54 h ILE 9 Cb 0.71 -0.03 -0.01 0.00 -0.74 0.00 0.00 36.82 36.75 1f54 h ILE 9 CO -0.35 0.14 -0.37 0.00 0.00 0.00 0.00 178.15 177.57 1f54 h ALA 10 N 1.59 -0.88 -0.87 1.87 0.00 -0.43 -1.61 119.26 118.93 1f54 h ALA 10 Ca 0.50 -0.16 0.19 0.00 0.00 0.00 0.00 54.91 55.44 1f54 h ALA 10 Cb 0.75 0.50 -0.06 0.00 0.00 0.00 0.00 17.79 18.97 1f54 h ALA 10 CO -0.27 -1.02 0.58 0.93 0.00 0.00 0.00 179.25 179.47 1f54 h GLU 11 N -0.85 0.40 -0.29 0.00 4.39 -0.64 -0.50 114.58 117.09 1f54 h GLU 11 Ca -0.05 -0.02 -0.03 0.00 0.34 0.00 0.00 59.36 59.60 1f54 h GLU 11 Cb 0.72 -0.09 -0.01 0.00 -0.10 0.00 0.00 28.75 29.27 1f54 h GLU 11 CO 0.01 0.26 0.08 0.74 -1.16 0.00 0.00 179.01 178.94 1f54 h PHE 12 N 0.41 0.49 0.11 4.33 -1.00 -0.85 -2.61 116.94 117.82 1f54 h PHE 12 Ca 0.45 -0.06 0.02 0.00 2.81 0.00 0.00 57.97 61.19 1f54 h PHE 12 Cb 1.10 -0.14 -0.03 0.00 3.61 0.00 0.00 35.95 40.49 1f54 h PHE 12 CO -0.00 0.53 -0.24 -0.22 -1.61 0.00 0.00 178.31 176.76 1f54 h LYS 13 N 0.31 -0.43 -0.96 1.51 1.63 -0.20 0.53 116.57 118.96 1f54 h LYS 13 Ca 0.09 0.03 0.19 0.00 -0.85 0.00 0.00 60.65 60.11 1f54 h LYS 13 Cb 0.28 0.10 -0.11 0.00 -0.60 0.00 0.00 32.23 31.90 1f54 h LYS 13 CO 0.00 -0.28 0.55 0.93 -3.45 0.00 0.00 179.45 177.20 1f54 h GLU 14 N -0.44 0.65 0.00 1.90 4.39 -1.42 0.12 114.58 119.78 1f54 h GLU 14 Ca 0.03 -0.04 0.00 0.00 0.34 0.00 0.00 59.36 59.69 1f54 h GLU 14 Cb 0.47 -0.15 0.00 0.00 -0.10 0.00 0.00 28.75 28.97 1f54 h GLU 14 CO -0.14 0.43 0.00 0.00 -1.16 0.00 0.00 179.01 178.14 1f54 n ALA 15 N -2.36 -0.26 -0.32 3.43 0.00 -0.62 -0.92 120.51 119.46 1f54 n ALA 15 Ca 0.22 0.00 0.04 0.00 0.00 0.00 0.00 53.44 53.70 1f54 n ALA 15 Cb 0.58 0.00 0.11 0.00 0.00 0.00 0.00 19.45 20.14 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 -0.53 0.00 0.00 3.57 -0.79 1.67 116.94 120.87 1f54 h PHE 16 Ca 0.00 0.08 -0.02 0.00 3.53 0.00 0.00 57.97 61.57 1f54 h PHE 16 Cb 0.00 0.37 -0.00 0.00 2.79 0.00 0.00 35.95 39.11 1f54 h PHE 16 CO 0.12 -0.39 -0.08 0.00 -2.23 0.00 0.00 178.31 175.73 1f54 h ALA 17 N 1.85 1.07 0.00 2.41 0.00 -0.83 -2.58 119.26 121.17 1f54 h ALA 17 Ca 0.43 -0.07 -0.01 0.00 0.00 0.00 0.00 54.91 55.25 1f54 h ALA 17 Cb 0.66 -0.01 -0.00 0.00 0.00 0.00 0.00 17.79 18.43 1f54 h ALA 17 CO -0.93 0.09 -0.07 1.25 0.00 0.00 0.00 179.25 179.60 1f54 h LEU 18 N 0.00 0.00 -3.14 0.00 6.46 0.44 -2.14 115.31 116.93 1f54 h LEU 18 Ca -0.00 0.00 -0.02 0.00 -0.12 0.00 0.00 57.88 57.74 1f54 h LEU 18 Cb 0.45 0.00 -0.01 0.00 -0.73 0.00 0.00 40.66 40.37 1f54 h LEU 18 CO 0.01 0.07 -0.04 0.49 -0.62 0.00 0.00 178.44 178.35 1f54 n PHE 19 N -3.84 0.49 -1.89 1.25 3.01 -0.98 -4.97 117.46 110.52 1f54 n PHE 19 Ca -0.02 -1.04 -0.37 0.00 1.01 0.00 0.00 57.45 57.02 1f54 n PHE 19 Cb 0.16 -0.26 -0.03 0.00 -0.01 0.00 0.00 39.48 39.34 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 -2.49 4.99 0.13 4.37 -4.77 -0.81 -4.63 116.67 113.46 1f54 s ASP 20 Ca 0.38 0.50 -0.17 0.00 -3.30 0.00 0.00 52.55 49.96 1f54 s ASP 20 Cb 0.32 -2.52 -0.01 0.00 -1.09 0.00 0.00 42.92 39.62 1f54 s ASP 20 CO 0.04 -2.58 1.71 0.50 0.70 0.00 0.00 175.17 175.55 1f54 h LYS 21 N 16.11 0.53 -0.00 2.11 1.63 -1.91 -2.11 116.57 132.93 1f54 h LYS 21 Ca -0.23 -0.08 0.00 0.00 -0.85 0.00 0.00 60.65 59.49 1f54 h LYS 21 Cb 1.18 -0.10 0.00 0.00 -0.60 0.00 0.00 32.23 32.72 1f54 h LYS 21 CO 1.20 0.47 -0.07 -0.25 -3.45 0.00 0.00 179.45 177.34 1f54 n ASP 22 N -4.72 0.34 -1.95 4.20 9.92 -1.26 -4.89 116.55 118.19 1f54 n ASP 22 Ca -0.00 -0.51 -0.21 0.00 -0.53 0.00 0.00 54.79 53.54 1f54 n ASP 22 Cb 0.11 -0.12 -0.06 0.00 -0.64 0.00 0.00 41.12 40.41 1f54 n ASP 22 CO 0.00 0.00 0.00 -3.20 0.13 0.00 0.00 177.20 174.13 1f54 n ASN 23 N -1.02 -5.66 -2.94 -2.24 5.15 -0.79 -4.88 115.26 102.87 1f54 n ASN 23 Ca 0.15 0.29 -0.27 0.00 -0.60 0.00 0.00 54.58 54.15 1f54 n ASN 23 Cb 0.26 -4.87 -0.04 0.00 -0.53 0.00 0.00 39.78 34.60 1f54 n ASN 23 CO 0.00 0.00 0.00 0.59 1.40 0.00 0.00 177.26 179.25 1f54 n ASN 24 N -1.64 4.31 -3.59 1.20 3.02 -1.26 -4.88 115.26 112.41 1f54 n ASN 24 Ca -0.22 -3.65 -0.25 0.00 -0.03 0.00 0.00 54.58 50.42 1f54 n ASN 24 Cb 0.68 -0.56 -0.03 0.00 -0.61 0.00 0.00 39.78 39.26 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 -0.23 -0.46 3.11 7.41 0.00 -1.26 -4.89 105.19 108.87 1f54 n GLY 25 Ca 0.31 0.06 -0.13 0.00 0.00 0.00 0.00 46.02 46.27 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 -2.75 -0.26 0.24 1.61 1.04 -1.26 -2.79 113.70 109.53 1f54 s SER 26 Ca 0.47 0.50 0.04 0.00 0.48 0.00 0.00 55.95 57.43 1f54 s SER 26 Cb -0.26 0.48 -0.05 0.00 0.10 0.00 0.00 66.02 66.28 1f54 s SER 26 CO 0.57 -0.10 -0.02 0.27 0.98 0.00 0.00 173.24 174.94 1f54 s ILE 27 N 0.39 1.14 0.33 -1.02 -4.36 -0.43 -3.79 121.20 113.46 1f54 s ILE 27 Ca -0.02 -2.05 -0.12 0.00 -0.26 0.00 0.00 60.65 58.20 1f54 s ILE 27 Cb -0.04 -2.34 -0.07 0.00 1.25 0.00 0.00 42.46 41.26 1f54 s ILE 27 CO -0.02 -0.34 0.70 -0.44 0.24 0.00 0.00 174.94 175.08 1f54 s SER 28 N -3.32 6.64 0.20 4.36 0.01 -1.26 0.22 113.70 120.54 1f54 s SER 28 Ca 0.28 1.12 -0.21 0.00 1.31 0.00 0.00 55.95 58.45 1f54 s SER 28 Cb 0.05 -2.31 0.14 0.00 0.21 0.00 0.00 66.02 64.11 1f54 s SER 28 CO 0.09 -0.24 1.57 0.77 0.41 0.00 0.00 173.24 175.83 1f54 h SER 29 N 1.93 -1.38 -1.17 2.44 4.64 -1.97 1.10 113.55 119.15 1f54 h SER 29 Ca -0.47 0.27 0.33 0.00 -0.47 0.00 0.00 61.79 61.44 1f54 h SER 29 Cb 1.18 0.68 -0.07 0.00 -0.31 0.00 0.00 62.40 63.89 1f54 h SER 29 CO 0.66 -0.30 0.81 -1.28 -0.87 0.00 0.00 176.83 175.85 1f54 h SER 30 N -0.11 0.14 0.47 4.97 0.87 -1.94 0.42 113.55 118.37 1f54 h SER 30 Ca 0.26 0.03 -0.26 0.00 -1.23 0.00 0.00 61.79 60.59 1f54 h SER 30 Cb 0.56 0.01 0.01 0.00 -0.44 0.00 0.00 62.40 62.54 1f54 h SER 30 CO -0.81 0.01 -1.13 -0.33 -0.53 0.00 0.00 176.83 174.05 1f54 h GLU 31 N 0.12 0.36 -0.82 2.24 4.39 0.85 -3.28 114.58 118.44 1f54 h GLU 31 Ca 0.59 -0.49 0.08 0.00 0.34 0.00 0.00 59.36 59.88 1f54 h GLU 31 Cb 2.09 0.17 -0.07 0.00 -0.10 0.00 0.00 28.75 30.84 1f54 h GLU 31 CO -0.11 1.19 0.48 1.25 -1.16 0.00 0.00 179.01 180.65 1f54 h LEU 32 N 0.15 0.71 -0.80 1.33 5.85 0.92 -1.27 115.31 122.21 1f54 h LEU 32 Ca -0.12 0.03 0.12 0.00 0.84 0.00 0.00 57.88 58.75 1f54 h LEU 32 Cb 1.81 -0.11 -0.08 0.00 0.37 0.00 0.00 40.66 42.65 1f54 h LEU 32 CO 0.19 0.43 0.41 0.00 -0.34 0.00 0.00 178.44 179.14 1f54 h ALA 33 N 1.42 1.15 0.28 1.25 0.00 -1.55 -0.20 119.26 121.60 1f54 h ALA 33 Ca 0.38 0.06 -0.01 0.00 0.00 0.00 0.00 54.91 55.34 1f54 h ALA 33 Cb 0.27 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.02 1f54 h ALA 33 CO -0.21 -0.04 -0.13 1.15 0.00 0.00 0.00 179.25 180.02 1f54 h THR 34 N 0.65 0.00 -1.48 0.00 2.02 -1.36 -2.70 112.91 110.03 1f54 h THR 34 Ca 0.41 -0.07 0.44 0.00 0.77 0.00 0.00 66.41 67.97 1f54 h THR 34 Cb 0.49 0.00 -0.09 0.00 -1.74 0.00 0.00 68.15 66.81 1f54 h THR 34 CO -0.31 0.00 1.02 -0.37 0.37 0.00 0.00 175.52 176.24 1f54 h VAL 35 N -0.44 0.19 0.83 3.16 -1.51 -1.30 0.18 116.25 117.37 1f54 h VAL 35 Ca -0.04 -0.02 -0.04 0.00 -1.23 0.00 0.00 66.70 65.37 1f54 h VAL 35 Cb 0.28 0.12 0.01 0.00 -2.13 0.00 0.00 31.29 29.57 1f54 h VAL 35 CO 0.06 0.01 -0.40 -0.03 -1.23 0.00 0.00 177.57 175.99 1f54 h MET 36 N 0.06 -1.07 0.00 5.19 4.05 -0.74 -2.36 114.93 120.07 1f54 h MET 36 Ca 0.78 0.07 0.00 0.00 -0.28 0.00 0.00 59.70 60.27 1f54 h MET 36 Cb 2.80 0.24 0.00 0.00 -0.80 0.00 0.00 31.60 33.85 1f54 h MET 36 CO -0.17 -0.71 0.00 0.00 0.23 0.00 0.00 176.91 176.26 1f54 h ARG 37 N -1.12 0.00 -0.13 0.39 3.08 -0.73 -2.94 114.38 112.93 1f54 h ARG 37 Ca -0.11 0.00 -0.12 0.00 0.07 0.00 0.00 59.98 59.81 1f54 h ARG 37 Cb 0.85 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.89 1f54 h ARG 37 CO 0.19 0.00 -0.46 0.77 -1.07 0.00 0.00 179.97 179.40 1f54 h SER 38 N 0.00 0.33 0.23 7.04 0.02 -0.44 -2.84 113.55 117.89 1f54 h SER 38 Ca 0.00 -0.15 -0.04 0.00 -0.84 0.00 0.00 61.79 60.76 1f54 h SER 38 Cb 0.49 -0.09 -0.01 0.00 0.14 0.00 0.00 62.40 62.93 1f54 h SER 38 CO 0.00 0.75 -0.19 -0.07 -1.14 0.00 0.00 176.83 176.18 1f54 h LEU 39 N 0.25 0.00 0.00 5.07 3.38 -1.24 -3.45 115.31 119.33 1f54 h LEU 39 Ca 0.02 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.99 1f54 h LEU 39 Cb 0.91 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.66 1f54 h LEU 39 CO 0.07 0.19 0.00 0.61 0.09 0.00 0.00 178.44 179.41 1f54 n GLY 40 N -0.90 0.58 2.73 0.83 0.00 -1.08 -5.13 105.19 102.23 1f54 n GLY 40 Ca -0.02 0.00 -0.17 0.00 0.00 0.00 0.00 46.02 45.82 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 -2.93 0.99 -0.00 -1.21 -4.76 117.00 109.09 1f54 n LEU 41 Ca 0.00 -2.67 -0.00 0.00 -0.00 0.00 0.00 56.01 53.34 1f54 n LEU 41 Cb 0.00 1.33 0.00 0.00 -0.00 0.00 0.00 43.42 44.76 1f54 n LEU 41 CO 0.00 -0.44 0.26 -0.55 -0.00 0.00 0.00 177.39 176.66 1f54 s SER 42 N -2.99 -0.98 0.00 1.45 0.15 -1.26 -4.21 113.70 105.85 1f54 s SER 42 Ca 0.31 -0.69 0.00 0.00 0.70 0.00 0.00 55.95 56.27 1f54 s SER 42 Cb 0.02 1.27 0.00 0.00 -1.71 0.00 0.00 66.02 65.59 1f54 s SER 42 CO 0.22 -0.09 0.00 -0.81 1.20 0.00 0.00 173.24 173.76 1f54 n PRO 43 N 3.71 1.08 -4.28 5.44 -0.04 -1.26 -5.09 135.00 134.55 1f54 n PRO 43 Ca 0.11 0.00 -0.15 0.00 -0.04 0.00 0.00 63.50 63.41 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 -1.41 1.82 0.08 3.54 1.04 -1.26 -5.01 113.70 112.50 1f54 s SER 44 Ca 0.00 -1.10 -0.18 0.00 0.48 0.00 0.00 55.95 55.16 1f54 s SER 44 Cb 0.00 -0.00 -0.05 0.00 0.10 0.00 0.00 66.02 66.07 1f54 s SER 44 CO 0.00 -0.40 1.30 -0.08 0.98 0.00 0.00 173.24 175.04 1f54 h GLU 45 N 2.65 -0.11 -0.88 4.02 4.81 -1.99 0.22 114.58 123.30 1f54 h GLU 45 Ca -0.37 0.01 0.22 0.00 -0.13 0.00 0.00 59.36 59.08 1f54 h GLU 45 Cb 1.20 0.02 -0.16 0.00 0.63 0.00 0.00 28.75 30.45 1f54 h GLU 45 CO 0.64 -0.07 -0.00 0.00 -0.73 0.00 0.00 179.01 178.84 1f54 h ALA 46 N -0.40 0.95 -0.53 2.92 0.00 -2.00 1.14 119.26 121.34 1f54 h ALA 46 Ca 0.06 0.30 0.02 0.00 0.00 0.00 0.00 54.91 55.29 1f54 h ALA 46 Cb 0.28 0.52 -0.03 0.00 0.00 0.00 0.00 17.79 18.56 1f54 h ALA 46 CO -0.42 -0.48 0.35 1.49 0.00 0.00 0.00 179.25 180.20 1f54 h GLU 47 N 0.06 0.64 -0.14 0.00 4.81 -1.06 -2.45 114.58 116.45 1f54 h GLU 47 Ca 0.50 -0.04 -0.08 0.00 -0.13 0.00 0.00 59.36 59.61 1f54 h GLU 47 Cb 0.95 -0.15 -0.00 0.00 0.63 0.00 0.00 28.75 30.18 1f54 h GLU 47 CO -0.81 0.43 -0.23 0.28 -0.73 0.00 0.00 179.01 177.95 1f54 h VAL 48 N 0.66 1.37 -0.42 0.32 2.07 0.31 -2.32 116.25 118.24 1f54 h VAL 48 Ca 0.21 -1.47 0.08 0.00 0.82 0.00 0.00 66.70 66.34 1f54 h VAL 48 Cb 0.01 1.99 -0.08 0.00 -1.52 0.00 0.00 31.29 31.69 1f54 h VAL 48 CO -0.05 0.43 -0.12 -1.13 0.02 0.00 0.00 177.57 176.72 1f54 h ASN 49 N 0.00 -0.45 -0.57 0.57 -0.73 -0.66 0.44 115.58 114.18 1f54 h ASN 49 Ca 0.01 0.13 -0.07 0.00 1.87 0.00 0.00 56.30 58.25 1f54 h ASN 49 Cb 0.80 0.28 -0.03 0.00 0.27 0.00 0.00 38.32 39.65 1f54 h ASN 49 CO 0.05 -0.16 0.11 -0.78 -0.37 0.00 0.00 177.43 176.28 1f54 h ASP 50 N -0.03 0.92 -0.72 1.15 3.58 -1.51 0.94 116.42 120.75 1f54 h ASP 50 Ca 0.20 -0.20 -0.01 0.00 0.42 0.00 0.00 57.03 57.44 1f54 h ASP 50 Cb 0.34 -0.24 -0.03 0.00 1.72 0.00 0.00 39.33 41.11 1f54 h ASP 50 CO -0.45 0.92 0.41 0.25 -2.88 0.00 0.00 179.24 177.50 1f54 h LEU 51 N 0.92 0.88 0.02 2.28 5.85 -0.55 -1.82 115.31 122.89 1f54 h LEU 51 Ca 0.19 -0.08 -0.00 0.00 0.84 0.00 0.00 57.88 58.83 1f54 h LEU 51 Cb 0.39 -0.22 0.00 0.00 0.37 0.00 0.00 40.66 41.19 1f54 h LEU 51 CO 0.01 0.70 -0.01 -0.03 -0.34 0.00 0.00 178.44 178.77 1f54 h MET 52 N 0.98 -0.03 -0.28 1.25 4.05 -0.71 -3.19 114.93 117.00 1f54 h MET 52 Ca 0.26 0.00 0.08 0.00 -0.28 0.00 0.00 59.70 59.76 1f54 h MET 52 Cb -0.00 0.01 -0.01 0.00 -0.80 0.00 0.00 31.60 30.80 1f54 h MET 52 CO -0.04 0.70 0.46 -0.91 0.23 0.00 0.00 176.91 177.34 1f54 h ASN 53 N -0.85 0.00 0.30 1.39 -0.26 -0.79 2.32 115.58 117.69 1f54 h ASN 53 Ca -0.00 0.00 0.00 0.00 -0.56 0.00 0.00 56.30 55.74 1f54 h ASN 53 Cb 0.74 0.00 0.00 0.00 -1.06 0.00 0.00 38.32 38.00 1f54 h ASN 53 CO 0.01 0.00 -0.06 -0.62 -1.06 0.00 0.00 177.43 175.69 1f54 n GLU 54 N -3.36 0.78 0.00 0.81 4.71 -0.69 -4.37 120.64 118.52 1f54 n GLU 54 Ca 0.05 -0.21 0.00 0.00 -0.01 0.00 0.00 57.16 56.99 1f54 n GLU 54 Cb 0.59 -1.50 0.00 0.00 -1.01 0.00 0.00 31.44 29.53 1f54 n GLU 54 CO 0.00 0.00 0.00 1.51 0.09 0.00 0.00 177.13 178.73 1f54 n ILE 55 N -0.93 0.00 -1.56 -3.67 3.06 0.36 -5.08 119.36 111.54 1f54 n ILE 55 Ca 0.16 0.00 -0.54 0.00 -2.50 0.00 0.00 62.75 59.88 1f54 n ILE 55 Cb 0.25 -0.07 -0.06 0.00 0.54 0.00 0.00 39.64 40.30 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 -1.63 1.05 -0.10 9.51 -0.08 0.69 -4.87 116.55 121.13 1f54 n ASP 56 Ca 0.00 1.13 -0.11 0.00 -1.51 0.00 0.00 54.79 54.30 1f54 n ASP 56 Cb 0.00 -1.11 -0.14 0.00 2.34 0.00 0.00 41.12 42.22 1f54 n ASP 56 CO 0.00 0.00 0.00 0.55 0.12 0.00 0.00 177.20 177.87 1f54 n VAL 57 N 2.03 1.29 -3.11 5.18 3.14 -1.26 -4.85 118.33 120.75 1f54 n VAL 57 Ca 0.18 -0.72 0.05 0.00 -2.96 0.00 0.00 64.34 60.90 1f54 n VAL 57 Cb 0.17 -0.71 0.00 0.00 -1.06 0.00 0.00 33.84 32.24 1f54 n VAL 57 CO 0.00 0.00 0.00 -1.81 -6.46 0.00 0.00 176.83 168.56 1f54 s ASP 58 N -5.52 -0.14 0.30 6.55 1.01 -1.26 -5.06 116.67 112.55 1f54 s ASP 58 Ca -0.15 0.01 0.00 0.00 0.71 0.00 0.00 52.55 53.12 1f54 s ASP 58 Cb 0.06 1.01 0.00 0.00 1.01 0.00 0.00 42.92 45.00 1f54 s ASP 58 CO 0.71 -0.02 0.00 0.61 0.21 0.00 0.00 175.17 176.67 1f54 n GLY 59 N 4.91 1.32 3.86 0.21 0.00 -1.26 -4.73 105.19 109.50 1f54 n GLY 59 Ca 0.10 0.25 -0.26 0.00 0.00 0.00 0.00 46.02 46.10 1f54 n GLY 59 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1f54 s ASN 60 N -4.00 4.58 -0.13 1.61 3.84 -1.26 -5.04 114.94 114.54 1f54 s ASN 60 Ca 0.00 -1.22 -0.34 0.00 0.21 0.00 0.00 52.86 51.51 1f54 s ASN 60 Cb 0.00 0.22 0.14 0.00 -0.55 0.00 0.00 41.25 41.06 1f54 s ASN 60 CO 0.00 -0.96 1.33 -1.38 -2.79 0.00 0.00 177.10 173.31 1f54 s HIS 61 N -2.73 -0.04 -0.48 0.43 -3.43 -1.26 -4.67 115.29 103.11 1f54 s HIS 61 Ca 0.33 -0.00 -0.15 0.00 -0.80 0.00 0.00 55.06 54.44 1f54 s HIS 61 Cb -0.01 0.52 0.08 0.00 -1.43 0.00 0.00 32.58 31.74 1f54 s HIS 61 CO 0.20 -0.13 0.41 -0.65 -2.00 0.00 0.00 174.74 172.56 1f54 s GLN 62 N -2.23 2.97 0.70 -0.38 -0.21 -1.26 -3.87 119.66 115.37 1f54 s GLN 62 Ca 0.13 -1.41 -0.13 0.00 0.02 0.00 0.00 55.36 53.97 1f54 s GLN 62 Cb 0.03 -4.15 0.02 0.00 1.00 0.00 0.00 33.01 29.92 1f54 s GLN 62 CO -0.04 -1.07 1.10 0.42 -2.12 0.00 0.00 175.29 173.58 1f54 s ILE 63 N 1.63 3.30 -0.05 1.08 1.01 0.59 -4.74 121.20 124.02 1f54 s ILE 63 Ca 0.04 0.54 0.04 0.00 0.00 0.00 0.00 60.65 61.27 1f54 s ILE 63 Cb -0.25 -3.05 -0.02 0.00 0.01 0.00 0.00 42.46 39.15 1f54 s ILE 63 CO 0.06 -0.44 -0.17 -1.61 0.00 0.00 0.00 174.94 172.78 1f54 s GLU 64 N -4.39 2.49 0.24 2.79 2.02 -1.26 -1.32 118.70 119.27 1f54 s GLU 64 Ca 0.65 -0.75 -0.05 0.00 0.02 0.00 0.00 54.97 54.84 1f54 s GLU 64 Cb -0.19 -2.33 0.39 0.00 0.10 0.00 0.00 34.13 32.11 1f54 s GLU 64 CO 0.47 0.57 1.77 0.35 0.02 0.00 0.00 175.26 178.44 1f54 h PHE 65 N 5.49 0.63 0.02 1.61 3.57 -1.90 0.30 116.94 126.66 1f54 h PHE 65 Ca -0.44 0.03 -0.00 0.00 3.53 0.00 0.00 57.97 61.09 1f54 h PHE 65 Cb 1.15 -0.17 -0.00 0.00 2.79 0.00 0.00 35.95 39.72 1f54 h PHE 65 CO 0.48 0.18 -0.02 0.77 -2.23 0.00 0.00 178.31 177.49 1f54 h SER 66 N 0.57 -0.05 -0.64 0.41 0.02 -1.95 -2.19 113.55 109.72 1f54 h SER 66 Ca 0.38 0.00 0.11 0.00 -0.84 0.00 0.00 61.79 61.44 1f54 h SER 66 Cb 0.47 0.02 -0.08 0.00 0.14 0.00 0.00 62.40 62.95 1f54 h SER 66 CO -0.31 -0.03 0.22 -0.08 -1.14 0.00 0.00 176.83 175.49 1f54 h GLU 67 N -0.04 0.37 -0.61 3.45 4.22 -1.94 0.28 114.58 120.32 1f54 h GLU 67 Ca -0.00 -0.02 0.06 0.00 0.08 0.00 0.00 59.36 59.47 1f54 h GLU 67 Cb 0.03 -0.08 -0.09 0.00 0.50 0.00 0.00 28.75 29.11 1f54 h GLU 67 CO -0.00 0.25 -0.49 0.35 -2.18 0.00 0.00 179.01 176.94 1f54 h PHE 68 N 0.38 -1.53 -0.11 0.92 3.57 -0.25 0.31 116.94 120.24 1f54 h PHE 68 Ca 0.33 0.09 -0.18 0.00 3.53 0.00 0.00 57.97 61.74 1f54 h PHE 68 Cb 0.44 0.75 -0.00 0.00 2.79 0.00 0.00 35.95 39.93 1f54 h PHE 68 CO -0.19 -0.36 -0.69 -0.07 -2.23 0.00 0.00 178.31 174.77 1f54 h LEU 69 N -0.16 0.57 -1.99 0.59 4.07 -0.98 -0.30 115.31 117.10 1f54 h LEU 69 Ca 0.10 -0.36 0.17 0.00 0.08 0.00 0.00 57.88 57.87 1f54 h LEU 69 Cb 0.42 -0.17 -0.02 0.00 1.08 0.00 0.00 40.66 41.97 1f54 h LEU 69 CO -0.66 1.10 0.48 0.00 -1.08 0.00 0.00 178.44 178.28 1f54 h ALA 70 N 0.90 2.45 0.00 1.53 0.00 0.96 -2.22 119.26 122.88 1f54 h ALA 70 Ca -0.02 -0.02 -0.31 0.00 0.00 0.00 0.00 54.91 54.56 1f54 h ALA 70 Cb 1.27 0.04 -0.06 0.00 0.00 0.00 0.00 17.79 19.04 1f54 h ALA 70 CO 0.12 -0.78 -2.16 1.28 0.00 0.00 0.00 179.25 177.71 1f54 n LEU 71 N -4.10 1.46 0.24 0.00 4.32 -0.04 -4.35 117.00 114.53 1f54 n LEU 71 Ca 0.11 -0.06 0.18 0.00 -0.02 0.00 0.00 56.01 56.23 1f54 n LEU 71 Cb 0.71 -0.15 0.88 0.00 -1.62 0.00 0.00 43.42 43.24 1f54 n LEU 71 CO 0.34 0.63 1.15 -0.03 -1.22 0.00 0.00 177.39 178.26 1f54 h MET 72 N 0.00 0.00 -1.13 3.23 4.05 -0.48 -2.11 114.93 118.49 1f54 h MET 72 Ca -0.46 0.00 0.33 0.00 -0.28 0.00 0.00 59.70 59.29 1f54 h MET 72 Cb 1.88 0.00 -0.05 0.00 -0.80 0.00 0.00 31.60 32.63 1f54 h MET 72 CO -0.02 0.00 1.10 0.77 0.23 0.00 0.00 176.91 178.99 1f54 h SER 73 N 0.00 0.00 -0.39 1.39 0.02 -1.62 -3.35 113.55 109.59 1f54 h SER 73 Ca 0.06 0.00 -0.02 0.00 -0.84 0.00 0.00 61.79 60.99 1f54 h SER 73 Cb 0.52 0.00 -0.00 0.00 0.14 0.00 0.00 62.40 63.06 1f54 h SER 73 CO -0.00 0.00 0.08 -0.13 -1.14 0.00 0.00 176.83 175.63 1f54 s ARG 74 N -4.59 1.61 0.59 3.45 1.81 -0.80 -4.58 118.95 116.45 1f54 s ARG 74 Ca -0.04 0.52 0.00 0.00 -1.72 0.00 0.00 55.73 54.49 1f54 s ARG 74 Cb 0.17 -4.78 0.00 0.00 -0.45 0.00 0.00 34.95 29.90 1f54 s ARG 74 CO 0.59 -4.42 0.00 0.94 -0.68 0.00 0.00 175.30 171.73 1f54 n GLN 75 N 8.83 -4.44 -3.16 3.54 -0.06 -1.26 -5.05 117.38 115.78 1f54 n GLN 75 Ca 0.46 3.40 0.05 0.00 -2.00 0.00 0.00 57.00 58.92 1f54 n GLN 75 Cb 0.44 -4.11 -0.02 0.00 -4.06 0.00 0.00 30.24 22.48 1f54 n GLN 75 CO 0.00 0.00 0.00 -1.17 -0.20 0.00 0.00 177.06 175.69 1f54 s LEU 76 N -4.87 -0.17 0.00 1.69 0.20 -1.26 -5.00 118.68 109.27 1f54 s LEU 76 Ca 0.00 0.13 0.02 0.00 0.69 0.00 0.00 54.13 54.97 1f54 s LEU 76 Cb 0.00 1.16 0.01 0.00 -0.43 0.00 0.00 46.19 46.93 1f54 s LEU 76 CO 0.00 -0.03 0.55 0.29 -0.29 0.00 0.00 176.35 176.87