#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 6.34 -0.42 -3.46 0.15 -1.26 -5.07 113.70 109.99 1f54 s SER 2 Ca 0.00 0.20 0.05 0.00 0.70 0.00 0.00 55.95 56.90 1f54 s SER 2 Cb 0.00 -1.92 0.19 0.00 -1.71 0.00 0.00 66.02 62.57 1f54 s SER 2 CO 0.00 0.01 0.38 -3.20 1.20 0.00 0.00 173.24 171.63 1f54 n ASN 3 N -0.71 -0.22 -1.31 5.45 2.85 -1.26 -5.11 115.26 114.95 1f54 n ASN 3 Ca -0.07 -2.47 0.16 0.00 -0.11 0.00 0.00 54.58 52.09 1f54 n ASN 3 Cb 0.54 -0.57 -0.06 0.00 1.24 0.00 0.00 39.78 40.93 1f54 n ASN 3 CO 0.00 0.00 0.00 -0.11 -2.11 0.00 0.00 177.26 175.04 1f54 n LEU 4 N 2.53 -0.75 0.00 1.20 7.94 -1.26 -5.05 117.00 121.62 1f54 n LEU 4 Ca 0.28 1.71 0.00 0.00 -1.11 0.00 0.00 56.01 56.89 1f54 n LEU 4 Cb 0.48 -4.16 0.00 0.00 0.53 0.00 0.00 43.42 40.28 1f54 n LEU 4 CO 0.11 -2.52 0.00 0.41 -1.11 0.00 0.00 177.39 174.28 1f54 n THR 5 N -3.95 0.00 0.00 1.96 -1.04 -1.26 -5.01 114.28 104.98 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 0.65 0.00 0.00 0.00 -1.82 0.00 0.00 70.33 69.16 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 -0.58 -1.26 -1.60 120.64 114.07 1f54 n GLU 6 Ca 0.00 0.39 0.16 0.00 -0.42 0.00 0.00 57.16 57.29 1f54 n GLU 6 Cb 0.00 -1.36 0.33 0.00 -0.57 0.00 0.00 31.44 29.84 1f54 n GLU 6 CO 0.00 0.00 0.00 0.93 -0.48 0.00 0.00 177.13 177.58 1f54 h GLU 7 N 0.00 0.13 0.03 3.49 3.07 -1.99 -1.51 114.58 117.79 1f54 h GLU 7 Ca 0.00 -0.01 -0.00 0.00 -0.50 0.00 0.00 59.36 58.85 1f54 h GLU 7 Cb 0.00 -0.03 -0.00 0.00 -0.84 0.00 0.00 28.75 27.88 1f54 h GLU 7 CO 0.00 0.08 -0.04 0.37 -1.40 0.00 0.00 179.01 178.02 1f54 h GLN 8 N 0.13 -0.07 -1.23 2.33 5.75 -1.93 -1.45 115.11 118.64 1f54 h GLN 8 Ca 0.60 0.00 0.40 0.00 -0.15 0.00 0.00 58.65 59.50 1f54 h GLN 8 Cb 1.29 0.02 -0.13 0.00 1.07 0.00 0.00 27.48 29.73 1f54 h GLN 8 CO -0.74 -0.05 0.78 0.82 -2.65 0.00 0.00 178.83 176.99 1f54 h ILE 9 N -0.08 0.20 0.32 2.39 2.04 -0.42 0.14 117.51 122.11 1f54 h ILE 9 Ca -0.00 -0.05 -0.00 0.00 1.00 0.00 0.00 64.86 65.80 1f54 h ILE 9 Cb 0.07 0.03 -0.02 0.00 -0.74 0.00 0.00 36.82 36.16 1f54 h ILE 9 CO -0.01 0.03 -0.32 0.00 0.00 0.00 0.00 178.15 177.85 1f54 h ALA 10 N 1.64 -0.68 -0.28 1.87 0.00 -0.33 -0.15 119.26 121.34 1f54 h ALA 10 Ca 0.77 -0.11 0.08 0.00 0.00 0.00 0.00 54.91 55.66 1f54 h ALA 10 Cb 2.30 0.46 -0.01 0.00 0.00 0.00 0.00 17.79 20.53 1f54 h ALA 10 CO -0.43 -0.92 0.22 0.93 0.00 0.00 0.00 179.25 179.05 1f54 h GLU 11 N -0.67 0.00 -0.12 0.00 5.08 -0.13 -1.63 114.58 117.11 1f54 h GLU 11 Ca -0.02 0.00 -0.10 0.00 -1.00 0.00 0.00 59.36 58.24 1f54 h GLU 11 Cb 0.61 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.86 1f54 h GLU 11 CO -0.06 0.00 -0.32 0.74 -1.00 0.00 0.00 179.01 178.37 1f54 h PHE 12 N 0.00 0.56 0.86 4.33 -1.00 -0.79 -2.42 116.94 118.48 1f54 h PHE 12 Ca 0.13 -0.22 -0.04 0.00 2.81 0.00 0.00 57.97 60.65 1f54 h PHE 12 Cb 0.56 -0.10 0.01 0.00 3.61 0.00 0.00 35.95 40.03 1f54 h PHE 12 CO 0.00 0.94 -0.42 -0.22 -1.61 0.00 0.00 178.31 177.01 1f54 h LYS 13 N 0.02 -1.12 -1.00 1.51 1.63 -0.14 0.36 116.57 117.83 1f54 h LYS 13 Ca -0.01 0.08 0.21 0.00 -0.85 0.00 0.00 60.65 60.08 1f54 h LYS 13 Cb 0.94 0.25 -0.10 0.00 -0.60 0.00 0.00 32.23 32.72 1f54 h LYS 13 CO 0.07 -0.74 0.61 0.93 -3.45 0.00 0.00 179.45 176.88 1f54 h GLU 14 N -1.23 0.65 0.00 1.90 3.07 -1.52 -0.05 114.58 117.39 1f54 h GLU 14 Ca -0.12 -0.04 0.00 0.00 -0.50 0.00 0.00 59.36 58.70 1f54 h GLU 14 Cb 0.90 -0.15 0.00 0.00 -0.84 0.00 0.00 28.75 28.66 1f54 h GLU 14 CO 0.19 0.43 0.00 0.00 -1.40 0.00 0.00 179.01 178.23 1f54 n ALA 15 N -2.36 -0.29 -0.33 3.43 0.00 -0.91 -0.15 120.51 119.89 1f54 n ALA 15 Ca 0.24 0.00 0.04 0.00 0.00 0.00 0.00 53.44 53.72 1f54 n ALA 15 Cb 0.64 0.00 0.12 0.00 0.00 0.00 0.00 19.45 20.21 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 -0.52 0.00 0.00 3.57 -0.74 1.10 116.94 120.36 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 0.37 -0.01 0.00 2.79 0.00 0.00 35.95 39.10 1f54 h PHE 16 CO 0.14 -0.40 -0.39 0.00 -2.23 0.00 0.00 178.31 175.43 1f54 h ALA 17 N 1.90 1.28 0.00 2.41 0.00 -1.07 -2.66 119.26 121.11 1f54 h ALA 17 Ca 0.44 -0.35 0.00 0.00 0.00 0.00 0.00 54.91 55.00 1f54 h ALA 17 Cb 0.67 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.40 1f54 h ALA 17 CO -0.95 0.48 0.30 1.25 0.00 0.00 0.00 179.25 180.32 1f54 h LEU 18 N 0.00 0.00 -2.67 0.00 6.46 0.47 0.12 115.31 119.69 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 0.00 178.44 178.29 1f54 n PHE 19 N -2.70 0.00 -1.98 1.25 3.01 -1.01 -4.97 117.46 111.05 1f54 n PHE 19 Ca -0.02 -0.61 -0.25 0.00 1.01 0.00 0.00 57.45 57.58 1f54 n PHE 19 Cb 0.34 -0.09 -0.05 0.00 -0.01 0.00 0.00 39.48 39.66 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 -1.76 4.96 0.13 4.37 -4.77 0.41 -4.74 116.67 115.27 1f54 s ASP 20 Ca 0.15 -0.59 -0.14 0.00 -3.30 0.00 0.00 52.55 48.66 1f54 s ASP 20 Cb 0.13 -2.56 -0.01 0.00 -1.09 0.00 0.00 42.92 39.39 1f54 s ASP 20 CO 0.01 -2.92 1.61 0.50 0.70 0.00 0.00 175.17 175.07 1f54 h LYS 21 N 11.46 0.72 0.00 2.11 1.63 -1.88 -2.09 116.57 128.51 1f54 h LYS 21 Ca 0.09 -0.20 0.00 0.00 -0.85 0.00 0.00 60.65 59.68 1f54 h LYS 21 Cb 1.00 -0.08 0.00 0.00 -0.60 0.00 0.00 32.23 32.55 1f54 h LYS 21 CO 1.18 0.76 0.00 -0.25 -3.45 0.00 0.00 179.45 177.69 1f54 n ASP 22 N -4.47 0.00 -0.90 4.20 9.92 -1.26 -4.83 116.55 119.21 1f54 n ASP 22 Ca -0.00 0.15 -0.11 0.00 -0.53 0.00 0.00 54.79 54.30 1f54 n ASP 22 Cb 0.25 -0.35 -0.05 0.00 -0.64 0.00 0.00 41.12 40.34 1f54 n ASP 22 CO 0.00 0.00 0.00 0.59 0.13 0.00 0.00 177.20 177.92 1f54 n ASN 23 N -1.35 -5.07 -2.79 -2.24 3.02 -0.79 -4.83 115.26 101.22 1f54 n ASN 23 Ca 0.08 0.27 -0.32 0.00 -0.03 0.00 0.00 54.58 54.58 1f54 n ASN 23 Cb 0.18 -3.86 0.01 0.00 -0.61 0.00 0.00 39.78 35.49 1f54 n ASN 23 CO 0.00 0.00 0.00 0.59 -2.62 0.00 0.00 177.26 175.23 1f54 n ASN 24 N -0.87 5.73 -2.44 6.41 3.02 -1.26 -4.86 115.26 120.98 1f54 n ASN 24 Ca -0.11 -3.75 -0.07 0.00 -0.03 0.00 0.00 54.58 50.63 1f54 n ASN 24 Cb 0.54 -0.72 -0.00 0.00 -0.61 0.00 0.00 39.78 38.99 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 -0.42 -0.48 3.01 7.41 0.00 -1.26 -4.89 105.19 108.56 1f54 n GLY 25 Ca 0.43 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 46.32 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 -2.01 0.62 0.03 1.61 1.04 -1.26 -1.86 113.70 111.87 1f54 s SER 26 Ca 0.00 -0.38 0.01 0.00 0.48 0.00 0.00 55.95 56.06 1f54 s SER 26 Cb 0.00 0.02 -0.02 0.00 0.10 0.00 0.00 66.02 66.12 1f54 s SER 26 CO 0.00 -0.14 -0.05 0.27 0.98 0.00 0.00 173.24 174.30 1f54 s ILE 27 N -0.97 0.32 0.61 -1.02 -4.36 -0.24 -4.11 121.20 111.44 1f54 s ILE 27 Ca -0.07 -0.94 -0.17 0.00 -0.26 0.00 0.00 60.65 59.21 1f54 s ILE 27 Cb -0.07 -0.42 -0.02 0.00 1.25 0.00 0.00 42.46 43.19 1f54 s ILE 27 CO -0.00 -0.41 1.11 -0.55 0.24 0.00 0.00 174.94 175.34 1f54 s SER 28 N -1.42 5.37 0.15 4.36 0.15 -1.26 -0.02 113.70 121.01 1f54 s SER 28 Ca -0.12 2.05 -0.29 0.00 0.70 0.00 0.00 55.95 58.29 1f54 s SER 28 Cb -0.09 -2.56 -0.04 0.00 -1.71 0.00 0.00 66.02 61.62 1f54 s SER 28 CO -0.00 -1.46 1.56 0.77 1.20 0.00 0.00 173.24 175.31 1f54 h SER 29 N 0.47 -1.61 -0.90 5.45 4.64 -1.89 0.81 113.55 120.51 1f54 h SER 29 Ca -0.48 0.23 0.26 0.00 -0.47 0.00 0.00 61.79 61.33 1f54 h SER 29 Cb 1.25 0.68 -0.04 0.00 -0.31 0.00 0.00 62.40 63.99 1f54 h SER 29 CO 0.55 -0.38 0.96 -1.28 -0.87 0.00 0.00 176.83 175.81 1f54 h SER 30 N -0.35 0.00 0.50 4.97 0.87 -1.93 0.96 113.55 118.57 1f54 h SER 30 Ca 0.12 0.00 -0.30 0.00 -1.23 0.00 0.00 61.79 60.38 1f54 h SER 30 Cb 0.59 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.55 1f54 h SER 30 CO -0.59 0.00 -1.41 -0.33 -0.53 0.00 0.00 176.83 173.97 1f54 h GLU 31 N 0.00 0.29 -0.99 2.24 4.39 0.28 -3.31 114.58 117.48 1f54 h GLU 31 Ca 0.43 -0.50 0.06 0.00 0.34 0.00 0.00 59.36 59.69 1f54 h GLU 31 Cb 2.35 0.19 -0.06 0.00 -0.10 0.00 0.00 28.75 31.12 1f54 h GLU 31 CO -0.00 1.20 0.64 1.25 -1.16 0.00 0.00 179.01 180.93 1f54 h LEU 32 N 0.08 1.02 -0.82 1.33 5.85 0.16 -1.38 115.31 121.55 1f54 h LEU 32 Ca -0.20 0.01 0.08 0.00 0.84 0.00 0.00 57.88 58.61 1f54 h LEU 32 Cb 2.02 -0.21 -0.07 0.00 0.37 0.00 0.00 40.66 42.77 1f54 h LEU 32 CO 0.19 0.65 0.48 0.00 -0.34 0.00 0.00 178.44 179.43 1f54 h ALA 33 N 1.46 1.16 0.33 1.25 0.00 -1.60 -0.22 119.26 121.64 1f54 h ALA 33 Ca 0.42 0.02 -0.02 0.00 0.00 0.00 0.00 54.91 55.33 1f54 h ALA 33 Cb 0.16 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 17.79 1f54 h ALA 33 CO -0.16 0.15 -0.16 1.15 0.00 0.00 0.00 179.25 180.23 1f54 h THR 34 N 0.84 0.00 -1.40 0.00 2.02 -1.39 -2.67 112.91 110.30 1f54 h THR 34 Ca 0.38 -0.08 0.42 0.00 0.77 0.00 0.00 66.41 67.90 1f54 h THR 34 Cb 0.29 0.00 -0.09 0.00 -1.74 0.00 0.00 68.15 66.61 1f54 h THR 34 CO -0.22 0.00 0.96 -0.37 0.37 0.00 0.00 175.52 176.27 1f54 h VAL 35 N -0.52 0.23 0.85 3.16 -1.51 -1.35 0.15 116.25 117.25 1f54 h VAL 35 Ca -0.04 -0.03 -0.04 0.00 -1.23 0.00 0.00 66.70 65.35 1f54 h VAL 35 Cb 0.34 0.13 0.01 0.00 -2.13 0.00 0.00 31.29 29.64 1f54 h VAL 35 CO 0.07 0.02 -0.43 -0.03 -1.23 0.00 0.00 177.57 175.97 1f54 h MET 36 N 0.09 -1.12 0.00 5.19 4.05 -0.73 -2.32 114.93 120.10 1f54 h MET 36 Ca 0.75 0.08 0.00 0.00 -0.28 0.00 0.00 59.70 60.25 1f54 h MET 36 Cb 2.63 0.25 0.00 0.00 -0.80 0.00 0.00 31.60 33.69 1f54 h MET 36 CO -0.19 -0.74 0.00 0.00 0.23 0.00 0.00 176.91 176.20 1f54 h ARG 37 N -1.16 0.00 -0.14 0.39 3.08 -0.74 -2.90 114.38 112.91 1f54 h ARG 37 Ca -0.12 0.00 -0.10 0.00 0.07 0.00 0.00 59.98 59.83 1f54 h ARG 37 Cb 0.90 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.93 1f54 h ARG 37 CO 0.18 0.00 -0.37 0.77 -1.07 0.00 0.00 179.97 179.48 1f54 h SER 38 N 0.00 0.31 0.25 7.04 0.02 -0.47 -2.69 113.55 118.01 1f54 h SER 38 Ca 0.00 -0.12 -0.03 0.00 -0.84 0.00 0.00 61.79 60.79 1f54 h SER 38 Cb 0.50 -0.09 -0.00 0.00 0.14 0.00 0.00 62.40 62.94 1f54 h SER 38 CO 0.00 0.66 -0.16 -0.07 -1.14 0.00 0.00 176.83 176.12 1f54 h LEU 39 N 0.26 0.00 0.00 5.07 3.38 -1.20 -3.45 115.31 119.37 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 0.77 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.52 1f54 h LEU 39 CO 0.06 0.16 0.00 0.61 0.09 0.00 0.00 178.44 179.36 1f54 n GLY 40 N -0.87 0.59 3.31 0.83 0.00 -1.02 -5.10 105.19 102.92 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 1.75 -0.39 0.99 2.34 -1.19 -5.07 118.68 117.12 1f54 s LEU 41 Ca 0.00 -1.74 0.01 0.00 0.06 0.00 0.00 54.13 52.46 1f54 s LEU 41 Cb 0.00 0.48 0.19 0.00 -0.56 0.00 0.00 46.19 46.30 1f54 s LEU 41 CO 0.00 -1.04 0.83 -0.55 -1.06 0.00 0.00 176.35 174.53 1f54 s SER 42 N -3.39 -1.00 0.00 1.48 0.15 -1.26 -4.19 113.70 105.49 1f54 s SER 42 Ca 0.39 -0.69 0.00 0.00 0.70 0.00 0.00 55.95 56.35 1f54 s SER 42 Cb 0.02 1.29 0.00 0.00 -1.71 0.00 0.00 66.02 65.62 1f54 s SER 42 CO 0.26 -0.09 0.00 -0.81 1.20 0.00 0.00 173.24 173.80 1f54 n PRO 43 N 3.74 1.12 -4.30 5.44 -0.04 -1.26 -5.09 135.00 134.61 1f54 n PRO 43 Ca 0.10 0.00 -0.16 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 -1.12 -0.04 0.00 0.00 175.50 174.34 1f54 s SER 44 N -1.40 1.72 0.10 3.54 0.01 -1.26 -5.01 113.70 111.40 1f54 s SER 44 Ca 0.00 -1.17 -0.22 0.00 1.31 0.00 0.00 55.95 55.87 1f54 s SER 44 Cb 0.00 0.02 -0.06 0.00 0.21 0.00 0.00 66.02 66.19 1f54 s SER 44 CO 0.00 -0.48 1.37 -0.08 0.41 0.00 0.00 173.24 174.46 1f54 h GLU 45 N 2.57 -0.14 -0.88 12.44 4.22 -1.99 0.23 114.58 131.04 1f54 h GLU 45 Ca -0.38 0.01 0.21 0.00 0.08 0.00 0.00 59.36 59.29 1f54 h GLU 45 Cb 1.21 0.03 -0.16 0.00 0.50 0.00 0.00 28.75 30.33 1f54 h GLU 45 CO 0.64 -0.09 -0.03 0.00 -2.18 0.00 0.00 179.01 177.35 1f54 h ALA 46 N -0.22 0.90 -0.70 2.92 0.00 -2.00 1.03 119.26 121.19 1f54 h ALA 46 Ca 0.08 0.30 0.03 0.00 0.00 0.00 0.00 54.91 55.32 1f54 h ALA 46 Cb 0.34 0.54 -0.04 0.00 0.00 0.00 0.00 17.79 18.64 1f54 h ALA 46 CO -0.52 -0.47 0.46 1.49 0.00 0.00 0.00 179.25 180.21 1f54 h GLU 47 N 0.05 0.84 -0.12 0.00 4.81 -1.01 -2.51 114.58 116.65 1f54 h GLU 47 Ca 0.49 -0.05 -0.05 0.00 -0.13 0.00 0.00 59.36 59.63 1f54 h GLU 47 Cb 0.91 -0.19 -0.00 0.00 0.63 0.00 0.00 28.75 30.10 1f54 h GLU 47 CO -0.82 0.56 -0.10 0.28 -0.73 0.00 0.00 179.01 178.20 1f54 h VAL 48 N 0.87 1.34 -0.48 0.32 2.07 0.26 -0.48 116.25 120.15 1f54 h VAL 48 Ca 0.28 -1.22 0.10 0.00 0.82 0.00 0.00 66.70 66.68 1f54 h VAL 48 Cb 0.02 1.88 -0.09 0.00 -1.52 0.00 0.00 31.29 31.58 1f54 h VAL 48 CO -0.07 0.35 -0.16 -1.13 0.02 0.00 0.00 177.57 176.58 1f54 h ASN 49 N -0.09 -0.57 -0.21 0.57 -1.24 -0.67 0.34 115.58 113.71 1f54 h ASN 49 Ca 0.02 0.16 -0.10 0.00 0.71 0.00 0.00 56.30 57.09 1f54 h ASN 49 Cb 0.60 0.34 -0.00 0.00 0.73 0.00 0.00 38.32 39.99 1f54 h ASN 49 CO 0.03 -0.20 -0.25 0.44 -1.29 0.00 0.00 177.43 176.15 1f54 h ASP 50 N -0.05 0.58 -0.62 1.15 5.19 -1.49 0.13 116.42 121.31 1f54 h ASP 50 Ca 0.23 -0.50 0.06 0.00 -0.62 0.00 0.00 57.03 56.21 1f54 h ASP 50 Cb 0.40 -0.16 -0.04 0.00 0.18 0.00 0.00 39.33 39.71 1f54 h ASP 50 CO -0.52 0.96 0.41 0.25 -3.12 0.00 0.00 179.24 177.22 1f54 h LEU 51 N 0.21 0.52 0.11 1.55 5.85 -0.24 -1.99 115.31 121.32 1f54 h LEU 51 Ca 0.03 0.00 -0.25 0.00 0.84 0.00 0.00 57.88 58.50 1f54 h LEU 51 Cb 0.82 -0.11 0.00 0.00 0.37 0.00 0.00 40.66 41.74 1f54 h LEU 51 CO 0.06 0.34 -1.25 0.24 -0.34 0.00 0.00 178.44 177.49 1f54 h MET 52 N 0.59 0.24 -0.11 1.25 2.86 -0.25 -3.30 114.93 116.21 1f54 h MET 52 Ca 0.27 -0.41 0.03 0.00 -2.06 0.00 0.00 59.70 57.53 1f54 h MET 52 Cb 0.30 0.15 -0.00 0.00 0.06 0.00 0.00 31.60 32.11 1f54 h MET 52 CO -0.08 1.20 0.26 -0.91 1.06 0.00 0.00 176.91 178.44 1f54 h ASN 53 N -0.36 0.00 -0.09 1.22 4.21 -0.45 2.23 115.58 122.34 1f54 h ASN 53 Ca -0.26 0.00 0.00 0.00 1.21 0.00 0.00 56.30 57.25 1f54 h ASN 53 Cb 1.70 0.00 0.00 0.00 -1.12 0.00 0.00 38.32 38.90 1f54 h ASN 53 CO 0.07 0.00 0.00 -1.84 -1.29 0.00 0.00 177.43 174.37 1f54 n GLU 54 N -3.28 1.69 0.00 0.81 0.28 -0.77 -4.41 120.64 114.96 1f54 n GLU 54 Ca 0.00 -1.03 0.00 0.00 -0.16 0.00 0.00 57.16 55.98 1f54 n GLU 54 Cb 0.35 -1.44 0.00 0.00 1.43 0.00 0.00 31.44 31.79 1f54 n GLU 54 CO 0.00 0.00 0.00 1.51 -0.16 0.00 0.00 177.13 178.48 1f54 n ILE 55 N 0.24 0.00 -1.64 3.84 3.06 0.20 -5.08 119.36 119.99 1f54 n ILE 55 Ca 0.18 0.00 -0.47 0.00 -2.50 0.00 0.00 62.75 59.95 1f54 n ILE 55 Cb 0.34 0.00 -0.04 0.00 0.54 0.00 0.00 39.64 40.48 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 -1.32 2.49 0.01 9.51 2.03 0.70 -4.90 116.55 125.07 1f54 n ASP 56 Ca 0.00 1.11 -0.01 0.00 0.52 0.00 0.00 54.79 56.41 1f54 n ASP 56 Cb 0.00 -1.35 -0.00 0.00 -0.72 0.00 0.00 41.12 39.05 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 2.63 0.74 -2.79 5.18 0.31 -1.26 -4.87 118.33 118.27 1f54 n VAL 57 Ca 0.16 0.25 -0.29 0.00 -0.01 0.00 0.00 64.34 64.44 1f54 n VAL 57 Cb 0.27 -1.48 -0.02 0.00 -0.91 0.00 0.00 33.84 31.69 1f54 n VAL 57 CO 0.00 0.00 0.00 -0.90 -1.32 0.00 0.00 176.83 174.61 1f54 n ASP 58 N -3.19 4.98 0.00 4.52 5.75 -1.26 -4.99 116.55 122.35 1f54 n ASP 58 Ca -0.02 -3.70 0.00 0.00 -0.01 0.00 0.00 54.79 51.06 1f54 n ASP 58 Cb 0.07 -0.63 0.00 0.00 -1.03 0.00 0.00 41.12 39.53 1f54 n ASP 58 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1f54 n GLY 59 N -0.28 1.85 3.22 6.12 0.00 -1.26 -4.42 105.19 110.42 1f54 n GLY 59 Ca 0.35 0.16 -0.41 0.00 0.00 0.00 0.00 46.02 46.13 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 -4.00 6.57 0.63 1.61 -0.87 -1.26 -4.87 114.94 112.76 1f54 s ASN 60 Ca 0.00 -3.55 -0.09 0.00 -1.57 0.00 0.00 52.86 47.65 1f54 s ASN 60 Cb 0.00 -2.05 -0.00 0.00 -0.02 0.00 0.00 41.25 39.17 1f54 s ASN 60 CO 0.00 -0.26 1.00 -1.38 -2.57 0.00 0.00 177.10 173.88 1f54 s HIS 61 N -1.14 3.39 -0.57 2.20 -3.43 -1.26 -4.90 115.29 109.58 1f54 s HIS 61 Ca 0.28 0.96 -0.19 0.00 -0.80 0.00 0.00 55.06 55.30 1f54 s HIS 61 Cb -0.09 -2.83 0.08 0.00 -1.43 0.00 0.00 32.58 28.31 1f54 s HIS 61 CO -0.10 -0.89 0.71 1.14 -2.00 0.00 0.00 174.74 173.61 1f54 s GLN 62 N -5.16 3.08 0.75 -0.38 1.03 -1.26 -3.50 119.66 114.23 1f54 s GLN 62 Ca 0.55 -1.10 -0.11 0.00 0.04 0.00 0.00 55.36 54.74 1f54 s GLN 62 Cb -0.11 -4.20 0.04 0.00 0.03 0.00 0.00 33.01 28.77 1f54 s GLN 62 CO 0.50 -1.47 1.09 0.42 -2.54 0.00 0.00 175.29 173.29 1f54 s ILE 63 N 2.85 3.38 -0.07 3.63 1.01 0.96 -4.76 121.20 128.21 1f54 s ILE 63 Ca 0.14 0.47 0.04 0.00 0.00 0.00 0.00 60.65 61.31 1f54 s ILE 63 Cb -0.22 -2.98 0.00 0.00 0.01 0.00 0.00 42.46 39.27 1f54 s ILE 63 CO 0.09 -0.56 -0.19 -0.70 0.00 0.00 0.00 174.94 173.58 1f54 s GLU 64 N -4.81 2.20 0.32 2.79 -6.30 -1.26 -1.07 118.70 110.56 1f54 s GLU 64 Ca 0.62 -0.67 0.08 0.00 -2.50 0.00 0.00 54.97 52.49 1f54 s GLU 64 Cb -0.17 -1.80 0.91 0.00 0.00 0.00 0.00 34.13 33.07 1f54 s GLU 64 CO 0.54 0.19 1.61 0.35 0.02 0.00 0.00 175.26 177.98 1f54 h PHE 65 N 6.52 0.43 0.00 5.30 3.57 -1.74 0.25 116.94 131.27 1f54 h PHE 65 Ca -0.28 0.05 0.00 0.00 3.53 0.00 0.00 57.97 61.27 1f54 h PHE 65 Cb 1.20 -0.03 0.00 0.00 2.79 0.00 0.00 35.95 39.90 1f54 h PHE 65 CO 0.46 -0.32 0.00 -1.13 -2.23 0.00 0.00 178.31 175.09 1f54 n SER 66 N -5.28 0.00 -0.33 0.41 3.41 -1.26 -2.02 113.62 108.56 1f54 n SER 66 Ca 0.27 0.57 0.23 0.00 -0.26 0.00 0.00 58.87 59.67 1f54 n SER 66 Cb 0.87 -0.07 0.45 0.00 -0.26 0.00 0.00 64.21 65.21 1f54 n SER 66 CO 0.00 0.00 0.00 -0.08 -0.16 0.00 0.00 175.04 174.80 1f54 h GLU 67 N 0.00 0.25 -0.15 4.33 4.22 -1.88 0.33 114.58 121.68 1f54 h GLU 67 Ca 0.00 -0.02 0.03 0.00 0.08 0.00 0.00 59.36 59.45 1f54 h GLU 67 Cb 0.00 -0.06 -0.05 0.00 0.50 0.00 0.00 28.75 29.14 1f54 h GLU 67 CO 0.00 0.17 -0.42 0.35 -2.18 0.00 0.00 179.01 176.93 1f54 h PHE 68 N 0.26 -1.25 -0.04 0.92 3.57 -0.38 0.00 116.94 120.02 1f54 h PHE 68 Ca 0.72 0.05 -0.11 0.00 3.53 0.00 0.00 57.97 62.16 1f54 h PHE 68 Cb 1.64 0.56 0.01 0.00 2.79 0.00 0.00 35.95 40.95 1f54 h PHE 68 CO -0.07 -0.41 -0.39 -0.07 -2.23 0.00 0.00 178.31 175.15 1f54 h LEU 69 N -0.41 0.42 -1.65 0.59 4.07 -0.56 0.24 115.31 118.01 1f54 h LEU 69 Ca 0.03 -0.70 0.23 0.00 0.08 0.00 0.00 57.88 57.53 1f54 h LEU 69 Cb 0.50 -0.12 -0.03 0.00 1.08 0.00 0.00 40.66 42.09 1f54 h LEU 69 CO -0.36 1.05 0.82 0.00 -1.08 0.00 0.00 178.44 178.87 1f54 h ALA 70 N 0.38 2.63 0.00 1.53 0.00 -0.24 -0.66 119.26 122.90 1f54 h ALA 70 Ca -0.04 -0.03 -0.31 0.00 0.00 0.00 0.00 54.91 54.54 1f54 h ALA 70 Cb 1.07 0.06 -0.06 0.00 0.00 0.00 0.00 17.79 18.86 1f54 h ALA 70 CO 0.08 -1.23 -2.16 1.28 0.00 0.00 0.00 179.25 177.22 1f54 n LEU 71 N -3.61 1.98 0.15 0.00 4.32 -0.03 -4.37 117.00 115.44 1f54 n LEU 71 Ca 0.17 -0.07 0.19 0.00 -0.02 0.00 0.00 56.01 56.28 1f54 n LEU 71 Cb 1.09 -0.35 0.77 0.00 -1.62 0.00 0.00 43.42 43.31 1f54 n LEU 71 CO 0.28 0.70 1.17 0.24 -1.22 0.00 0.00 177.39 178.56 1f54 h MET 72 N 0.00 0.00 0.00 3.23 2.86 0.61 0.15 114.93 121.77 1f54 h MET 72 Ca -0.46 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.18 1f54 h MET 72 Cb 1.82 0.00 0.00 0.00 0.06 0.00 0.00 31.60 33.48 1f54 h MET 72 CO -0.04 0.00 0.06 0.77 1.06 0.00 0.00 176.91 178.76 1f54 h SER 73 N 0.00 0.00 -0.75 1.22 0.02 -1.62 -2.05 113.55 110.36 1f54 h SER 73 Ca 0.15 0.00 0.02 0.00 -0.84 0.00 0.00 61.79 61.12 1f54 h SER 73 Cb 0.95 0.00 -0.04 0.00 0.14 0.00 0.00 62.40 63.45 1f54 h SER 73 CO -0.00 0.00 0.49 0.03 -1.14 0.00 0.00 176.83 176.21 1f54 h ARG 74 N 0.00 0.95 0.00 3.45 3.08 -1.00 -3.43 114.38 117.44 1f54 h ARG 74 Ca 0.00 -0.06 0.00 0.00 0.07 0.00 0.00 59.98 59.99 1f54 h ARG 74 Cb 0.13 -0.22 0.00 0.00 0.08 0.00 0.00 29.97 29.96 1f54 h ARG 74 CO 0.00 0.63 0.00 1.04 -1.07 0.00 0.00 179.97 180.57 1f54 n GLN 75 N -4.59 0.00 0.00 0.04 6.02 -0.78 -4.95 117.38 113.13 1f54 n GLN 75 Ca 0.08 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 57.07 1f54 n GLN 75 Cb 0.05 0.00 0.00 0.00 1.02 0.00 0.00 30.24 31.31 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 -0.20 0.00 0.00 1.08 7.94 -1.19 -5.13 117.00 119.50 1f54 n LEU 76 Ca 0.00 0.00 0.00 0.00 -1.11 0.00 0.00 56.01 54.90 1f54 n LEU 76 Cb 0.00 0.00 0.00 0.00 0.53 0.00 0.00 43.42 43.95 1f54 n LEU 76 CO 0.00 0.00 0.00 0.29 -1.11 0.00 0.00 177.39 176.57